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Compound Detail

CHEMBL3545465

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Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545465
Phase Preclinical
Structure Type MOL
InChI Key JUXUNPXWSKFOFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
1.47
ALogP
2
HBA
3
HBD
101.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2
MW 281.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine