Molecule Details
| InChIKey | BPNUQXPIQBZCMR-IBGZPJMESA-N |
|---|---|
| Compound Name | A-674563 |
| Canonical SMILES | Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 83 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.82 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08568 |
|---|---|
| Drug Name | A-674563 |
| CAS Number | 552325-73-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Heterocyclic Compounds, Fused-Ring Pyrazoles
Cross-references: BindingDB: 15138 CHEMBL379218 ChemSpider: 9489307 PDB: SS3 PubChem:11314340 PubChem:99445039 ZINC: ZINC000016052569
Target Activities (83)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 9.3 | Kd | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 9.3 | Kd | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 8.8 | Kd | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 8.7 | Kd | ChEMBL;BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 8.4 | Kd | ChEMBL;BindingDB |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.0 | Kd | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.0 | Kd | ChEMBL;BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.9 | Kd | ChEMBL;BindingDB |
| O14578 | CIT | Homo sapiens | Human | PF00780 PF00169 PF00069 PF00433 | 7.9 | Kd | ChEMBL;BindingDB |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 7.7 | Kd | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.6 | Kd | ChEMBL;BindingDB |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.3 | pIC50 | TTD_MultiTarget |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.3 | IC50 | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| Q92630 | DYRK2 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q8TD08 | MAPK15 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q09013 | DMPK | Homo sapiens | Human | PF08826 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9Y5S2 | CDC42BPB | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9H422 | HIPK3 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.9 | Kd | ChEMBL;BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.7 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.7 | Kd | ChEMBL;BindingDB |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.7 | Kd | ChEMBL;BindingDB |
| O76039 | CDKL5 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9BYT3 | STK33 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q86Z02 | HIPK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q99755 | PIP5K1A | Homo sapiens | Human | PF01504 | 6.6 | Kd | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.4 | Kd | ChEMBL;BindingDB |
| Q32MK0 | MYLK3 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q6DT37 | CDC42BPG | Homo sapiens | Human | PF00130 PF00780 PF08826 PF25346 PF00069 PF00433 | 6.3 | Kd | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q96SB4 | SRPK1 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.2 | Kd | ChEMBL;BindingDB |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9BRS2 | RIOK1 | Homo sapiens | Human | PF01163 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9NRM7 | LATS2 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | Kd | ChEMBL;BindingDB |
| O43318 | MAP3K7 | Homo sapiens | Human | PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9P286 | PAK5 | Homo sapiens | Human | PF00786 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| O14730 | RIOK3 | Homo sapiens | Human | PF01163 | 6.2 | Kd | ChEMBL;BindingDB |
| Q92772 | CDKL2 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q16566 | CAMK4 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9NQU5 | PAK6 | Homo sapiens | Human | PF00786 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| O94921 | CDK14 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8N5S9 | CAMKK1 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9Y6M4 | CSNK1G3 | Homo sapiens | Human | PF12605 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q13554 | CAMK2B | Homo sapiens | Human | PF08332 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.0 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |