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

CHEMBL4649802

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](Nc3nnc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649802
Phase Preclinical
Structure Type MOL
InChI Key ZGTBRXCHDKWPQT-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
4.96
ALogP
9
HBA
2
HBD
113.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O3S2
MW 526.69
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -2.10

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