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Compound Detail

CHEMBL383609

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CC(C)(Cc1nc2ccccc2[nH]1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(C#N)c1

Basic Information

ChEMBL ID CHEMBL383609
Phase Preclinical
Structure Type MOL
InChI Key RZFJWFFZJWSFDV-DHIUTWEWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
3.37
ALogP
5
HBA
3
HBD
88.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N5O
MW 417.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Extracellular calcium-sensing receptor
CHEMBL1878
IC50 5.55 5.55 2840.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16216508 10.1016/j.bmcl.2005.08.095 Extracellular calcium-sensing receptor 1

Data from ChEMBL 36 via Core Engine