Details of the Drug

General Information of Drug (ID: DMRUIX3)

• Drug Name: GP515
• Synonyms: 1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 1-(5-amino-5-deoxy-beta-D-ribofuranosyl)-3-bromo-; GP 1-515; CHEMBL356141; 144928-48-3; GP-515; Adenosine kinase inhibitor GP515; GP-1-515; SCHEMBL2053010; AC1L31E2; DTXSID30162847; BDBM50134744; 1-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-3-bromo-1H-pyrazolo(3,4-d)pyrimidin-4-amine; 4-Amino-1-(5-amino-5-deoxy-1-beta-D-ribofuranosyl)-3-bromopyrazolo(3,4-d)pyrimidine; (2R,3R,4S,5R)-2-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)-5-(aminomethyl)oxolane-3,4-diol; 19-nor-10-azasteroid skeleton

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 345.15
  Logarithm of the Partition Coefficient (xlogp); -1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C10H13BrN6O3
  IUPAC Name: (2R,3R,4S,5R)-2-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)-5-(aminomethyl)oxolane-3,4-diol
  Canonical SMILES: C1=NC(=C2C(=N1)N(N=C2Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N
  InChI: InChI=1S/C10H13BrN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10-/m1/s1
  InChIKey: LTTBFVDMHCIDPM-BHBWVORQSA-N
• Cross-matching ID:
  PubChem CID: 132663
  ChEBI ID: CHEMBL356141
  CAS Number: 144928-48-3
  TTD ID: D07OAC
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine kinase (ADK)	TTL732K	ADK_HUMAN	Inhibitor	[2]
Steroid 5-alpha-reductase 1 (SRD5A1)	TTTU72V	S5A1_HUMAN	Inhibitor	[1]
Steroid 5-alpha-reductase 2 (SRD5A2)	TTT02K8	S5A2_HUMAN	Inhibitor	[1]

References

• [1] 19-nor-10-azasteroids: a novel class of inhibitors for human steroid 5alpha-reductases 1 and 2. J Med Chem. 1997 Mar 28;40(7):1112-29.
• [2] Adenosine kinase inhibitor GP515 improves experimental colitis in mice. J Pharmacol Exp Ther. 2001 Jan;296(1):99-105.