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Compound Detail

CHEMBL1206581

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CC(C)c1ccc(/C(=C\CC(N)C(=O)O)c2ccc(C#N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206581
Phase Preclinical
Structure Type MOL
InChI Key ANMOQNABXYRCIW-ODLFYWEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.92
ALogP
3
HBA
2
HBD
87.1
PSA (Ų)
0.84
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 C21H22N2O2
MW 334.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine