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Compound Detail

CHEMBL228189

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Cc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228189
Phase Preclinical
Structure Type MOL
InChI Key NJHUISQZNDSXKM-QNGOZBTKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
5.42
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO4S2
MW 455.60
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.13

Literature References

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

Data from ChEMBL 36 via Core Engine