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Compound Detail

CHEMBL4597251

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O=C(O)[C@@H]1CCCN(CCO/N=C/c2ccccc2-c2ccc(F)cc2Cl)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597251
Phase Preclinical
Structure Type MOL
InChI Key LENLOHNSNRUXIC-ANDSAHIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
4.29
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClFN2O3
MW 404.87
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine