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Compound Detail

CHEMBL4437857

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O=C(/C=C/c1cccc(CNc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)c1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4437857
Phase Preclinical
Structure Type MOL
InChI Key RBRRPIUNZHCFAY-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
2.91
ALogP
9
HBA
3
HBD
117.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N7O3
MW 463.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
31272794 10.1016/j.bmcl.2019.06.059 Histone deacetylase 1 3
31272794 10.1016/j.bmcl.2019.06.059 CDK2/Cyclin A2 3

Data from ChEMBL 36 via Core Engine