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Compound Detail

CHEMBL1191106

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OC(c1c[nH]cn1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191106
Phase Preclinical
Structure Type MOL
InChI Key GABDNCQOTDJOGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.64
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.70
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 C14H12N2O
MW 224.26
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine