Molecule Details
InChIKeyXZECOSGWJJTFSR-SPLOXXLWSA-N
Compound NameUS10800774, Example 30b
Canonical SMILESC[C@@H]1COCCN1c1cc([C@@]2(C)CCCS2(=O)=O)nc(-c2ccnc3[nH]ccc23)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Unknown
Avg pChEMBL7.91
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
Q15116 PDCD1 Homo sapiens Human PF07686 8.2 IC50 ChEMBL
Q8WXE1 ATRIP Homo sapiens Human — 8.2 IC50 BindingDB
Q9NZQ7 CD274 Homo sapiens Human PF08205 PF07686 8.2 IC50 ChEMBL
O14757 CHEK1 Homo sapiens Human PF00069 7.0 IC50 ChEMBL;BindingDB