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Compound Detail

CHEMBL272371

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COc1ccc(CCNC2=CC3=NCCc4cn(C)c(c43)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272371
Phase Preclinical
Structure Type MOL
InChI Key YMVQBESPQGVOOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.29
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.91
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 C20H21N3O2
MW 335.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
18077173 10.1016/j.bmc.2007.11.063 NCI-H460 1

Data from ChEMBL 36 via Core Engine