Details of the Drug

General Information of Drug (ID: DMGXCY9)

• Drug Name: Calcium phosphate
• Synonyms: Bonarka; Calcigenol simple; Calcium orthophosphate; Calcium phosphate; Calcium phosphate (3:2); Calcium phosphate (Ca3(PO4)2); Calcium phosphate tribasic; Calcium tertiary phosphate; Natural whitlockite; Phosphoric acid, calcium salt; Phosphoric acid, calcium salt (2:3); Synthos; TRICALCIUM PHOSPHATE; Tertiary calcium phosphate; Tribasic calcium phosphate; Tricalcium diphosphate; Tricalcium orthophosphate; beta-TCP; beta-Tricalcium phosphate
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 310.174
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 0
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: Ca3O8P2
  IUPAC Name: tricalcium;diphosphate
  Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
  InChI: InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
  InChIKey: QORWJWZARLRLPR-UHFFFAOYSA-H
• Cross-matching ID:
  PubChem CID: 24456
  ChEBI ID: ChEBI:9679
  CAS Number: 7758-87-410103-46-5
  DrugBank ID: DB11348
  VARIDT ID: DR00339

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Sodium-dependent phosphate transport protein 2A (SLC34A1)	DT42EWA	NPT2A_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
C-X-C motif chemokine 10 (CXCL10)	OTTLQ6S0	CXL10_HUMAN	Gene/Protein Processing	[2]
Stromal cell-derived factor 1 (CXCL12)	OT2QX5LL	SDF1_HUMAN	Gene/Protein Processing	[2]

References

• [1] Phosphate transporters and their function. Annu Rev Physiol. 2013;75:535-50.
• [2] Human osteoclasts express different CXC chemokines depending on cell culture substrate: molecular and immunocytochemical evidence of high levels of CXCL10 and CXCL12. Histochem Cell Biol. 2003 Nov;120(5):391-400. doi: 10.1007/s00418-003-0587-3. Epub 2003 Nov 5.