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Compound Detail

CHEMBL3909427

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CCCC(CCC)NC(=O)c1cccc(C(C)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3909427
Phase Preclinical
Structure Type MOL
InChI Key CEGAIIRLXOXBIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
4.50
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.78
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 C16H23F2NO
MW 283.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.57

Activity Summary

EC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T1R1/T1R3
CHEMBL3832641
 EC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T1R1/T1R3 EC50 = 330.0 nM 6.48 Immunological Binding Assay: Immunoassays also often use a labeling agent to spe... -

Data from ChEMBL 36 via Core Engine