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

CHEMBL5861503

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
Cc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC(C)(C)C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5861503
Phase Preclinical
Structure Type MOL
InChI Key OAPHOWKBROSIAI-PHZGNYQRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.6
MW (Da)
2.94
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31N3O2S
MW 377.55
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent T-type calcium channel subunit alpha-1H
CHEMBL1859
 IC50 7.03 7.03 93.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-dependent T-type calcium channel subunit alpha-1H IC50 = 93.0 nM 7.03 Activity Assay: The HEK293 cells having human Cav3.2 stably expressed therein we... -

Data from ChEMBL 36 via Core Engine