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Compound Detail

CHEMBL86628

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CC(C)(C)/N=C(\S)C1=CC(C)(C)Oc2ccc(C#N)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86628
Phase Preclinical
Structure Type MOL
InChI Key JNPGNKPXFIGJCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
4.24
ALogP
3
HBA
1
HBD
45.4
PSA (Ų)
0.48
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 C17H20N2OS
MW 300.43
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
1875351 10.1021/jm00112a037 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine