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
Structure
3D MOL 2D MOL
#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
CAS Number
144928-48-3
TTD ID
D07OAC

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.