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Compound Detail

CHEMBL76118

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O=C(CCc1ncc[nH]1)NC(c1ccccc1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76118
Phase Preclinical
Structure Type MOL
InChI Key PEAAYIBQPHRMIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.78
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N3O
MW 311.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine