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Compound Detail

CHEMBL5797308

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O=C1COc2c(cccc2NC(=O)NCc2ccc(C(F)(F)F)cc2N2CCCC2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5797308
Phase Preclinical
Structure Type MOL
InChI Key ABNCWKBVNWSWPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
3.96
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F3N4O3
MW 434.42
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
 IC50 9.15 9.15 0.7 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 IC50 = 0.7 nM 9.15 calcium assay: Capsaicin (0.3 μM) caused an increase in [Ca2+] in the vast major... -

Data from ChEMBL 36 via Core Engine