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Compound Detail

CHEMBL3747963

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CSc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747963
Phase Preclinical
Structure Type MOL
InChI Key CBCMNZZQSAONHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.5
MW (Da)
4.22
ALogP
3
HBA
1
HBD
30.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2S
MW 310.47
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine