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Compound Detail

CHEMBL321419

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Cc1cccc(/C=C2/N=C(SC(C)C)NC(=O)C2(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321419
Phase Preclinical
Structure Type MOL
InChI Key BEIXQEDADIPOEH-GXDHUFHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.99
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2OS
MW 302.44
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
7650679 10.1021/jm00017a010 MT4 2

Data from ChEMBL 36 via Core Engine