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Compound Detail

CHEMBL4471870

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Cc1noc(C)c1Cn1cc(N2C(=O)C(=O)N(Cc3ccccc3)C2=O)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471870
Phase Preclinical
Structure Type MOL
InChI Key AHTLZRURDSTFOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
2.03
ALogP
7
HBA
0
HBD
101.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O4
MW 379.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 8
CHEMBL3988599
 IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 8 IC50 = 2000.0 nM 5.7 Antagonist activity at recombinant human TAS2R8 stably expressed in cells co-exp... 32330040

Literature References

PubMed DOI Target Context # Activities
32330040 10.1021/acs.jmedchem.0c00388 Taste receptor type 2 member 8 1

Data from ChEMBL 36 via Core Engine