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Compound Detail

CHEMBL5028558

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COc1ccc2oc(-c3ncc[nH]3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028558
Phase Preclinical
Structure Type MOL
InChI Key UMPDHBNHZRUSBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
2.83
ALogP
3
HBA
1
HBD
51.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O2
MW 214.22
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine