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Compound Detail

CHEMBL12128

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CN(C)C1Cc2cccc3nc(O)n(c23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12128
Phase Preclinical
Structure Type MOL
InChI Key GYEMKOUGMLMNRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
1.23
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.78
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 C12H15N3O
MW 217.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine