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

CHEMBL44063

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
Cc1nc(C)c(-c2ccnc(Nc3ccccc3Cl)n2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44063
Phase Preclinical
Structure Type MOL
InChI Key NMLXMRMDZYTEQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.8
MW (Da)
4.61
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13ClN4S
MW 316.82
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
15027857 10.1021/jm0309957 Cyclin-dependent kinase 2 1
15027857 10.1021/jm0309957 Cyclin-dependent kinase 4 1
15027857 10.1021/jm0309957 Homo sapiens 1

Data from ChEMBL 36 via Core Engine