Details of the Drug

General Information of Drug (ID: DMWGKHZ)

• Drug Name: ATF-936

Indication

Disease Entry	ICD 11	Status	REF
Osteoporosis	FB83.0	Phase 1	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 482.6
  Logarithm of the Partition Coefficient (xlogp); 5.9
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C30H30N2O4
  IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
  Canonical SMILES: CCOC1=C(C=CC(=C1)CN2C3=C(C=C(C=C3)OCC#C)C(=NC2=O)C4=CC=C(C=C4)C(C)C)OC
  InChI: InChI=1S/C30H30N2O4/c1-6-16-36-24-13-14-26-25(18-24)29(23-11-9-22(10-12-23)20(3)4)31-30(33)32(26)19-21-8-15-27(34-5)28(17-21)35-7-2/h1,8-15,17-18,20H,7,16,19H2,2-5H3
  InChIKey: IIBRYYCFSIBSFT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44201334
  CAS Number: 717103-89-4
  TTD ID: D04CJE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Extracellular calcium-sensing receptor (CASR)	TTBUYHA	CASR_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Osteoporosis
• ICD Disease Classification: FB83.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Extracellular calcium-sensing receptor (CASR)	DTT	CASR	5.81E-02	-0.03	-0.19

References

• [1] ATF936, a novel oral calcilytic, increases bone mineral density in rats and transiently releases parathyroid hormone in humans. Bone. 2011 Aug;49(2):233-41.