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Compound Detail

CHEMBL390064

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CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2O)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390064
Phase Preclinical
Structure Type MOL
InChI Key KUGAHGGCNLNOTL-ZROIWOOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
3.46
ALogP
5
HBA
1
HBD
43.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O2S2
MW 336.48
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
17477517 10.1021/jm061257w Enoyl-acyl-carrier protein reductase 3
17948976 10.1021/jm0700159 Transthyretin 2

Data from ChEMBL 36 via Core Engine