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Compound Detail

CHEMBL389008

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CCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389008
Phase Preclinical
Structure Type MOL
InChI Key KMUGZJZPEHXVIU-CYVLTUHYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
5.11
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29NO5S2
MW 451.61
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.92

Literature References

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

Data from ChEMBL 36 via Core Engine