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Compound Detail

CHEMBL1193231

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Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccccc4)c3Cl)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193231
Phase Preclinical
Structure Type MOL
InChI Key JUCNUOIBDJWWPZ-FOWTUZBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.4
MW (Da)
6.22
ALogP
4
HBA
1
HBD
71.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25Cl2N3O3
MW 534.44
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine