AXT914   Click here for help

GtoPdb Ligand ID: 10696

Synonyms: AXT-914 | PD127836
Compound class: Synthetic organic
Comment: AXT914 is a calcium-sensing receptor (CaSR) modulator that was developed by Novartis as a small molecule calcilytic [1]. It is structurally related to the CaSR negative allosteric modulator (NAM) ATF936, but exhibits better solubility properties in microemulsion formulations. AXT914 acts to promote a rapid and transient release of parathyroid hormone. CaSR antagonists/NAMs are being investigated as bone-forming osteoporosis therapeutics.

Note that this entry was updated in March 2024, with reference to the chemical structure provided in [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 41.9
Molecular weight 487.39
XLogP 4.36
No. Lipinski's rules broken 0
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Canonical SMILES C#CCOC1=CC2=C(C=C1)N(CC3=CC=C(C=C3)Br)C(=O)N=C2C4=CC=C(C=C4)C(C)C
Isomeric SMILES CC(C)C1=CC=C(C=C1)C2=NC(=O)N(CC3=CC=C(Br)C=C3)C4=CC=C(OCC#C)C=C24
InChI InChI=1S/C27H23BrN2O2/c1-4-15-32-23-13-14-25-24(16-23)26(21-9-7-20(8-10-21)18(2)3)29-27(31)30(25)17-19-5-11-22(28)12-6-19/h1,5-14,16,18H,15,17H2,2-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AXT-914 | PD127836
Database Links Click here for help
GtoPdb PubChem SID 404859143
PubChem CID 59259095
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