Details of the Drug

General Information of Drug (ID: DMTHMEI)

• Drug Name: INS 316
• Synonyms: Uridine 5'-triphosphate; uridine 5'-triphosphate; uridine triphosphate; 63-39-8; Uteplex; UTP; Uridine 5'-(tetrahydrogen triphosphate); 5'-UTP; Uridine 5'-triphosphoric acid; H4utp; UNII-UT0S826Z60; BRN 0071520; INS316; EINECS 200-558-7; uridine-5'-triphosphate; CHEMBL336296; CHEBI:15713; UT0S826Z60; Uridine5'-(tetrahydrogen triphosphate); [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate; uridine5'-triphosphate; uridintriphosphat; uridine tetrahydrogen

Indication

Disease Entry	ICD 11	Status	REF
Lung cancer	2C25.0	Discontinued in Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 484.14
  Logarithm of the Partition Coefficient (xlogp); -5.8
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 15
• Chemical Identifiers:
  Formula: C9H15N2O15P3
  IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  Canonical SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
  InChI: InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
  InChIKey: PGAVKCOVUIYSFO-XVFCMESISA-N
• Cross-matching ID:
  PubChem CID: 6133
  ChEBI ID: CHEBI:15713
  CAS Number: 63-39-8
  UNII: UT0S826Z60
  DrugBank ID: DB04005
  TTD ID: D0Z7FU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
P2Y purinoceptor 11 (P2RY11)	TTYXPCO	P2Y11_HUMAN	Agonist	[2]
P2Y purinoceptor 2 (P2RY2)	TTOZHQC	P2RY2_HUMAN	Modulator	[3]
P2Y purinoceptor 4 (P2RY4)	TT24DGP	P2RY4_HUMAN	Agonist	[4]
P2Y purinoceptor 6 (P2RY6)	TTNVSKA	P2RY6_HUMAN	Agonist	[5]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Interleukin-6 (IL6)	OTUOSCCU	IL6_HUMAN	Gene/Protein Processing	[6]
Mitogen-activated protein kinase 1 (MAPK1)	OTH85PI5	MK01_HUMAN	Post-Translational Modifications	[7]
Mitogen-activated protein kinase 3 (MAPK3)	OTCYKGKO	MK03_HUMAN	Post-Translational Modifications	[7]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 02 Neoplasm
• Disease Class: ICD-11: 2C82 Prostate cancer
• The Studied Tissue: Lung tissue
• The Studied Disease: Lung cancer [ICD-11:2C82]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
P2Y purinoceptor 2 (P2RY2)	DTT	P2RY2	7.03E-10	0.14	0.52

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008257)
• [2] Characterization of a Ca2+ response to both UTP and ATP at human P2Y11 receptors: evidence for agonist-specific signaling. Mol Pharmacol. 2003 Jun;63(6):1356-63.
• [3] Safety of aerosolized INS 365 in patients with mild to moderate cystic fibrosis: results of a phase I multi-center study. Pediatr Pulmonol. 2001 Aug;32(2):122-8.
• [4] ATP, an agonist at the rat P2Y(4) receptor, is an antagonist at the human P2Y(4) receptor. Mol Pharmacol. 2000 May;57(5):926-31.
• [5] Cloning, functional expression and tissue distribution of the human P2Y6 receptor. Biochem Biophys Res Commun. 1996 May 15;222(2):303-8.
• [6] Involvement of P2Y11 receptor in silica nanoparticles 30-induced IL-6 production by human keratinocytes. Toxicology. 2014 Aug 1;322:61-8. doi: 10.1016/j.tox.2014.03.010. Epub 2014 May 2.
• [7] Cellular injury induces activation of MAPK via P2Y receptors. J Cell Biochem. 2004 Apr 1;91(5):938-50. doi: 10.1002/jcb.10774.