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Compound Detail

CHEMBL3694608

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Cc1cc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1CNS(C)(=O)=O

Basic Information

ChEMBL ID CHEMBL3694608
Phase Preclinical
Structure Type MOL
InChI Key VOABDLHRSZBDAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
4.02
ALogP
5
HBA
3
HBD
103.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30F3N5O3S
MW 513.59
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.95

Activity Summary

Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
Ki 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine