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Compound Detail

CHEMBL336508

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Cn1cnc2c(=O)n(Cc3ccco3)c3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336508
Phase Preclinical
Structure Type MOL
InChI Key ICJDHPWFXVPZJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
2.53
ALogP
5
HBA
0
HBD
53.0
PSA (Ų)
0.57
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 C16H13N3O2
MW 279.30
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
1331454 10.1021/jm00100a009 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine