Molecule Details
| InChIKey | DUKJABPGWUISRC-SBZVUBOMSA-N |
|---|---|
| Compound Name | N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide |
| Canonical SMILES | O=C(N[C@@H](c1ccccn1)C1CC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.94 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P33981 | TTK | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.8 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.6 | IC50 | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.3 | IC50 | ChEMBL;BindingDB |
| O15146 | MUSK | Homo sapiens | Human | PF01392 PF07679 PF13927 PF07714 | 6.2 | IC50 | ChEMBL;BindingDB |