Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4636090

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636090
Phase Preclinical
Structure Type MOL
InChI Key COGUZYALRYMQTD-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

525.7
MW (Da)
5.56
ALogP
8
HBA
2
HBD
100.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O3S2
MW 525.70
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
32502343 10.1021/acs.jmedchem.9b01929 CDK2/Cyclin A1 1
32502343 10.1021/acs.jmedchem.9b01929 CDK7/Cyclin H/MNAT1 1
32502343 10.1021/acs.jmedchem.9b01929 CDK9/cyclin T1 1
32502343 10.1021/acs.jmedchem.9b01929 Cyclin-dependent kinase 12/13 1

Data from ChEMBL 36 via Core Engine