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Compound Detail

CHEMBL493629

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CCCCCCCCCCSC1N=CN(C(C)(C)C)C(=O)C1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493629
Phase Preclinical
Structure Type MOL
InChI Key NRAHSMGEZORHOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.0
MW (Da)
5.46
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.38
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 C18H33ClN2OS
MW 361.00
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
18422306 10.1021/jm701443n Unchecked 1

Data from ChEMBL 36 via Core Engine