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

CHEMBL317960

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
COc1ccc([C@H]2Sc3ccc(C(F)(F)F)cc3-n3c(CN(C)C)ccc3[C@H]2OC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL317960
Phase Preclinical
Structure Type MOL
InChI Key CHQAHVVWAOKDEA-DNQXCXABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
6.02
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25F3N2O3S
MW 490.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
8709127 10.1021/jm960162z Voltage-gated L-type calcium channel 1
8709127 10.1021/jm960162z Translocator protein 1

Data from ChEMBL 36 via Core Engine