Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL171323

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)c1cc(Cc2c[nH]cn2)c(C(C)C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171323
Phase Preclinical
Structure Type MOL
InChI Key XJQPUVAQAYCYQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

248.4
MW (Da)
4.31
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.86
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 C14H20N2S
MW 248.40
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine