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Compound Detail

CHEMBL1205922

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COC(=O)/C(Cl)=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205922
Phase Preclinical
Structure Type MOL
InChI Key BFMNKNHXLJAYMF-ADUATRDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.8
MW (Da)
0.70
ALogP
7
HBA
1
HBD
130.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2O7S
MW 424.82
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine