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Compound Detail

CHEMBL4593121

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C[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)N(C)C1CCS(=O)(=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593121
Phase Preclinical
Structure Type MOL
InChI Key BOILVJHYARHZEM-KTRBRXNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
1.89
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23ClN2O4S
MW 398.91
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine