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Compound Detail

CHEMBL1190419

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O=C(O)[C@@H]1CCCN(CCO/C=C(/c2ccccc2)c2ccccc2Cl)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190419
Phase Preclinical
Structure Type MOL
InChI Key QJFYDLBMZFBGHW-HWLQVLAGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
4.54
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClNO3
MW 385.89
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine