Details of the Drug

General Information of Drug (ID: DMLPSWQ)

• Drug Name: Niraparib Tosylate
• Synonyms: 1038915-73-9; MK-4827 (tosylate); MK-4827 tosylate; UNII-75KE12AY9U; MK-4827(Niraparib) tosylate; 75KE12AY9U; MK-4827-tosylate; MK 4827 tosylate; Niraparib(MK-4827) tosylate; KS-00000TSH; MolPort-044-556-849; s7625; HY-10619B; AKOS030632785; CS-2283; AC-30383; KB-335358; AX8326059

Indication

Disease Entry	ICD 11	Status	REF
Fallopian tube cancer	2C74	Approved	[1]
Peritoneal cancer	2C51.Z	Approved	[2]

• Therapeutic Class: Antihypertensive Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 492.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C26H28N4O4S
  IUPAC Name: 4-methylbenzenesulfonic acid;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N
  InChI: InChI=1S/C19H20N4O.C7H8O3S/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10)/t14-;/m1./s1
  InChIKey: LCPFHXWLJMNKNC-PFEQFJNWSA-N
• Cross-matching ID:
  PubChem CID: 78357761
  CAS Number: 1038915-73-9
  TTD ID: D0DN0W
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Modulator	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Fallopian tube cancer
• ICD Disease Classification: 2C74

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Poly [ADP-ribose] polymerase 1 (PARP1)	DTT	PARP1	5.01E-05	1.02	2.68

References

• [1] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2018
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.