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Compound Detail

CHEMBL4301348

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CCc1ccncc1-c1ccc(CN)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301348
Phase Preclinical
Structure Type MOL
InChI Key PMFPLVYHUVJODG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
2.83
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2S
MW 218.32
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine