Details of the Drug

General Information of Drug (ID: DMGUXDB)

Drug Name

1,4,-IP2

Synonyms

1D-myo-inositol 1,4-bisphosphate; inositol 1,4-bis(phosphate)

Indication

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

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C6H10O12P2-4
Canonical SMILES: C1(C(C(C(C(C1OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-])O)O
InChI: 1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5?,6?/m1/s1
InChIKey: PELZSPZCXGTUMR-MBEOBJKWSA-J

Cross-matching ID

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: 5098).