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Compound Detail

CHEMBL3314384

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CC(C)=Cc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314384
Phase Preclinical
Structure Type MOL
InChI Key BNMYQTDYWXTYKD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
4.45
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F4N3O3S
MW 473.49
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.41

Activity Summary

Ki 1 meas. best 7.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 Ki 7.94 7.94 11.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily V member 1 Ki = 11.5 nM 7.94 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... 24948568

Literature References

PubMed DOI Target Context # Activities
24948568 10.1016/j.bmcl.2014.05.074 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine