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Compound Detail

CHEMBL227138

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CCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227138
Phase Preclinical
Structure Type MOL
InChI Key LWIXCEOHBLFPDM-SDXDJHTJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
4.80
ALogP
6
HBA
0
HBD
55.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO4S2
MW 421.58
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
17477517 10.1021/jm061257w Enoyl-acyl-carrier protein reductase 3

Data from ChEMBL 36 via Core Engine