Details of the Drug

General Information of Drug (ID: DMC1BXV)

• Drug Name: AZD-3514

Indication

Disease Entry	ICD 11	Status	REF
Prostate cancer	2C82.0	Phase 1	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 519.6
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C25H32F3N7O2
  IUPAC Name: 1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
  Canonical SMILES: CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4
  InChI: InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
  InChIKey: JMEYDSHPKCSIJC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46893585
  CAS Number: 1240299-33-5
  TTD ID: D08AAV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Androgen receptor (AR)	TTS64P2	ANDR_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Prostate cancer
• ICD Disease Classification: 2C82.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Androgen receptor (AR)	DTT	AR	2.13E-01	-0.07	-0.11

References

• [1] ClinicalTrials.gov (NCT01351688) An Open Label Prostate Cancer Study in Japanese Patients. U.S. National Institutes of Health.
• [2] AZD3514: a small molecule that modulates androgen receptor signaling and function in vitro and in vivo. Mol Cancer Ther. 2013 Sep;12(9):1715-27.