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Compound Detail

CHEMBL5028364

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COc1ccc2nc3c(c(N)c2c1)C1CC(C)=CC(C3)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028364
Phase Preclinical
Structure Type MOL
InChI Key OQPHIFIGALCHJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.82
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine