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Compound Detail

CHEMBL4205905

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CCC/C=C/n1nc(C(C)(C)C)cc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205905
Phase Preclinical
Structure Type MOL
InChI Key GUIPIMNJMYAAKS-FMIVXFBMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.38
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33FN4O3S
MW 464.61
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 Ki 8.29 8.29 5.1 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 = 5.1 nM 8.29 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... 28838698

Literature References

PubMed DOI Target Context # Activities
28838698 10.1016/j.bmcl.2017.08.020 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine