Molecule Details
| InChIKey | BIIVYFLTOXDAOV-YVEFUNNKSA-N |
|---|---|
| Compound Name | Alvocidib |
| Canonical SMILES | CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 82 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03496 |
|---|---|
| Drug Name | Alvocidib |
| CAS Number | 146426-40-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Alvocidib is a synthetic flavonoid based on an extract from an Indian plant for the potential treatment of cancer. It works by inhibiting cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells. |
Categories: Antineoplastic Agents BCRP/ABCG2 Substrates Benzopyrans Chromones Cyclin-Dependent Kinases, antagonists & inhibitors Enzyme Inhibitors Growth Inhibitors Growth Substances Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors Pyrans UGT1A1 Substrates
Cross-references: BindingDB: 5655 ChEBI: 47344 CHEMBL428690 ChemSpider: 4450222 PDB: CPB PharmGKB: PA452627 PubChem:5287969 PubChem:46507266 Therapeutic Targets Database: DCL000422 Wikipedia: Alvocidib ZINC: ZINC000021288966
Target Activities (82)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 9.2 | Kd | ChEMBL;BindingDB |
| Q4G0J3 | LARP7 | Homo sapiens | Human | PF05383 PF00076 PF08777 | 8.5 | Ki | ChEMBL;BindingDB |
| O76039 | CDKL5 | Homo sapiens | Human | PF00069 | 8.2 | Kd | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.0 | IC50 | ChEMBL;BindingDB |
| P20794 | MAK | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.5 | pIC50 | TTD_MultiTarget |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.5 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.5 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.4 | pIC50 | TTD_MultiTarget |
| Q59H18 | TNNI3K | Homo sapiens | Human | PF12796 PF07714 | 7.3 | Kd | ChEMBL;BindingDB |
| Q9BWU1 | CDK19 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| Q86Y07 | VRK2 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.1 | Kd | ChEMBL;BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q8N5S9 | CAMKK1 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P30279 | CCND2 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| Q9H2K8 | TAOK3 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 7.0 | IC50 | ChEMBL |
| O14578 | CIT | Homo sapiens | Human | PF00780 PF00169 PF00069 PF00433 | 7.0 | Kd | ChEMBL;BindingDB |
| O94921 | CDK14 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.9 | IC50 | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.9 | IC50 | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.8 | Kd | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.8 | Kd | ChEMBL;BindingDB |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.8 | IC50 | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| Q9UL54 | TAOK2 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q8TD08 | MAPK15 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q96Q40 | CDK15 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.5 | Kd | ChEMBL;BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.5 | Kd | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.4 | Kd | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.4 | Kd | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q14004 | CDK13 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| O00238 | BMPR1B | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.3 | Kd | ChEMBL;BindingDB |
| Q8TDR2 | STK35 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q8IYT8 | ULK2 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.3 | Kd | ChEMBL;BindingDB |
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | Kd | ChEMBL;BindingDB |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.2 | Kd | ChEMBL;BindingDB |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13164 | MAPK7 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.2 | Kd | ChEMBL;BindingDB |
| Q09013 | DMPK | Homo sapiens | Human | PF08826 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q15835 | GRK1 | Homo sapiens | Human | PF00069 PF00615 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | Kd | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9UK32 | RPS6KA6 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8TBX8 | PIP4K2C | Homo sapiens | Human | PF01504 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9BQI3 | EIF2AK1 | Homo sapiens | Human | PF22949 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | pIC50 | TTD_MultiTarget |
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 6.0 | Kd | ChEMBL |
| Q8WTQ7 | GRK7 | Homo sapiens | Human | PF00069 PF00615 | 6.0 | Kd | ChEMBL;BindingDB |
| P11217 | PYGM | Homo sapiens | Human | PF00343 | 6.0 | IC50 | ChEMBL;BindingDB |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Kd | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.0 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P00533 | EGFR | Epidermal growth factor receptor | binder | targets |
| P06493 | CDK1 | Cyclin-dependent kinase 1 | binder | targets |
| P06737 | PYGL | Glycogen phosphorylase, liver form | binder | targets |
| P11216 | PYGB | Glycogen phosphorylase, brain form | binder | targets |
| P11802 | CDK4 | Cyclin-dependent kinase 4 | binder | targets |
| P49336 | CDK8 | Cyclin-dependent kinase 8 | binder | targets |
| P50613 | CDK7 | Cyclin-dependent kinase 7 | binder | targets |
| Q00534 | CDK6 | Cyclin-dependent kinase 6 | binder | targets |
| Q00535 | CDK5 | Cyclin-dependent kinase 5 | binder | targets |
| P11217 | PYGM | Glycogen phosphorylase, muscle form | inhibitor | targets |
| P24941 | CDK2 | Cyclin-dependent kinase 2 | inhibitor | targets |
| P50750 | CDK9 | Cyclin-dependent kinase 9 | inhibitor | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |