Molecule Details
InChIKeyXGVXKJKTISMIOW-CYBMUJFWSA-N
Compound Name(R)-Simurosertib
Canonical SMILESCc1n[nH]cc1-c1cc2nc([C@H]3CC4CCN3CC4)[nH]c(=O)c2s1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.11
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O00311 CDC7 Homo sapiens Human PF00069 9.0 IC50 ChEMBL
Q9UBU7 DBF4 Homo sapiens Human PF07535 9.0 IC50 ChEMBL;BindingDB
Q13464 ROCK1 Homo sapiens Human PF25346 PF00069 PF08912 6.3 IC50 ChEMBL;BindingDB