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Compound Detail

CHEMBL3719314

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Cc1c(F)c(F)c(C(=O)NC2CCCCCC2)c(F)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3719314
Phase Preclinical
Structure Type MOL
InChI Key JGBAQQHGWIZYTD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
4.00
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17F4NO
MW 303.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.83

Activity Summary

EC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T1R2/T1R3
CHEMBL3832642
 EC50 5.9 5.9 1250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T1R2/T1R3 EC50 = 1250.0 nM 5.9 Agonist activity at human T1R2/T1R3 expressed in HEK293T cells co-expressing Gal... -

Data from ChEMBL 36 via Core Engine