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Compound Detail

CHEMBL297614

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Cc1nc(C)c(-c2ccnc(N(C)c3cccc([N+](=O)[O-])c3)n2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297614
Phase Preclinical
Structure Type MOL
InChI Key ADMUFKDXOCHFHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.89
ALogP
7
HBA
0
HBD
85.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N5O2S
MW 341.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.76

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