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Compound Detail

CHEMBL230919

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O=C(NCc1cc(F)c(N2[C@@H]3CCC[C@H]2CC3)cc1F)Nc1cccc2[nH]ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230919
Phase Preclinical
Structure Type MOL
InChI Key ZNQKOBGZYQOJJS-GASCZTMLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.68
ALogP
3
HBA
3
HBD
73.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F2N5O
MW 411.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 7.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 IC50 7.67 7.67 21.3 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 = 21.3 nM 7.67 Antagonist activity at human TRPV1 receptor by calcium influx assay 17583335

Literature References

PubMed DOI Target Context # Activities
17583335 10.1021/jm070276i Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine