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Compound Detail

CHEMBL227087

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COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227087
Phase Preclinical
Structure Type MOL
InChI Key WYYGNXOXBSZQGA-KAMYIIQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
4.38
ALogP
5
HBA
0
HBD
46.6
PSA (Ų)
0.28
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 C17H18BrNO3S2
MW 428.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
17477517 10.1021/jm061257w Enoyl-acyl-carrier protein reductase 2

Data from ChEMBL 36 via Core Engine