Molecule Details
InChIKeyLKXGJCAIIDCTPQ-WJOKGBTCSA-N
Compound Name2-[[5-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-6-chloro-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Canonical SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(N5CCC6(CC5)Cc5ccccc5[C@H]6N)cn4)c(Cl)n3)nc2n1C1CCCC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.68
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q06124 PTPN11 Homo sapiens Human PF00017 PF00102 7.5 IC50 ChEMBL
P11802 CDK4 Homo sapiens Human PF00069 6.3 IC50 ChEMBL
P30281 CCND3 Homo sapiens Human PF02984 PF00134 6.3 IC50 ChEMBL