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Compound Detail

CHEMBL424210

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CCc1cc(Cc2c[nH]cn2)c(CC)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424210
Phase Preclinical
Structure Type MOL
InChI Key VJKYHDLZWCMFMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
3.19
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2S
MW 220.34
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine