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Compound Detail

CHEMBL54087

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CCc1c(C(=O)NC)[nH]cc2nc3ccccc3c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54087
Phase Preclinical
Structure Type MOL
InChI Key DDPPSXYEQLJZCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.59
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O
MW 253.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
2547070 10.1021/jm00128a023 Unchecked 1

Data from ChEMBL 36 via Core Engine