Molecule Details
| InChIKey | LCVIRAZGMYMNNT-VVONHTQRSA-N |
|---|---|
| Canonical SMILES | O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.17 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12556 |
|---|---|
| Drug Name | MK-5108 |
| CAS Number | 1010085-13-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | MK-5108 has been used in trials studying the treatment of Cancer, Neoplasms, Tumors. |
Categories: Acids, Carbocyclic Cyclohexanes Cycloparaffins Protein Kinase Inhibitors Sulfur Compounds
Cross-references: BindingDB: 50175305 CHEMBL3600873 ChemSpider: 28189059 PDB: 5VC PubChem:24748204 PubChem:347828780
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 10.2 | IC50 | ChEMBL |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 8.2 | Kd | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 8.0 | Kd | ChEMBL |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 7.6 | Kd | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.6 | Kd | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL |
| Q9NQS7 | INCENP | Homo sapiens | Human | PF03941 PF12178 | 7.6 | IC50 | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.2 | Kd | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.1 | Kd | ChEMBL |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.9 | Kd | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.7 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.7 | Kd | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.5 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.4 | Kd | ChEMBL |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.4 | Kd | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.3 | Kd | ChEMBL |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL |