Details of the Drug

General Information of Drug (ID: DMFW3XP)

Drug Name
4,5,-IP2
Synonyms 1D-myo-inositol 4,5-bisphosphate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C6H14O12P2
Canonical SMILES
C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O
InChI
1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1
InChIKey
MCKAJXMRULSUKI-UZAAGFTCSA-N
Cross-matching ID
PubChem CID
125004
ChEBI ID
CHEBI:18156
CAS Number
93060-87-8
TTD ID
D0A0OJ

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5119).