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Compound Detail

CHEMBL409506

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Cc1nc(-c2ccccn2)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409506
Phase Preclinical
Structure Type MOL
InChI Key UVHRIGKJFWKRMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
4.62
ALogP
8
HBA
1
HBD
106.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N6O2S
MW 390.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.97

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