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Compound Detail

CHEMBL568485

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C[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568485
Phase Preclinical
Structure Type MOL
InChI Key RWGKXZWVCMNMFB-ZIAGYGMSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
5.96
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClF3N3
MW 393.84
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.78

Activity Summary

EC50 1 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Extracellular calcium-sensing receptor
CHEMBL1878
 EC50 7.04 7.04 92.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Extracellular calcium-sensing receptor EC50 = 92.0 nM 7.04 Activity at human CaSR expressed in HEK293 cells assessed as calcium release by ... 19835382

Literature References

PubMed DOI Target Context # Activities
19835382 10.1021/jm9012278 Extracellular calcium-sensing receptor 1

Data from ChEMBL 36 via Core Engine