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Compound Detail

CHEMBL2377730

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O=C(Nc1nccc(-c2nccs2)n1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1

Basic Information

ChEMBL ID CHEMBL2377730
Phase Preclinical
Structure Type MOL
InChI Key ORUOLRHRKNXXRV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

528.7
MW (Da)
4.99
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N6O2S
MW 528.68
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.53

Activity Summary

EC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Extracellular calcium-sensing receptor
CHEMBL1878
EC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23499504 10.1016/j.bmcl.2013.01.077 Extracellular calcium-sensing receptor 1

Data from ChEMBL 36 via Core Engine