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Compound Detail

CHEMBL112097

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

Basic Information

ChEMBL ID CHEMBL112097
Phase Preclinical
Structure Type MOL
InChI Key XDQBFYDDYXNTHL-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.4
MW (Da)
2.37
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2OS
MW 260.36
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.60

Literature References

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

Data from ChEMBL 36 via Core Engine