Details of the Drug

General Information of Drug (ID: DM8LVQF)

Drug Name

L-Myo-Inositol-1-Phosphate

Synonyms

(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate; AC1NRBXQ; CHEBI:58401; 1D-myo-inositol 3-phosphate(2-); DB03542; [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]

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): 1

Molecular Weight (mw)

258.12

Logarithm of the Partition Coefficient (xlogp)

-5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C6H11O9P-2
IUPAC Name: [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Canonical SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
InChI: InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1?,2-,3+,4-,5-,6?/m0/s1
InChIKey: INAPMGSXUVUWAF-LXOASSSBSA-L

Cross-matching ID

PubChem CID: 5288700
ChEBI ID: CHEBI:58401
DrugBank ID: DB03542
TTD ID: D08MFC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inositol-1(or4)-monophosphatase (IMPA2)	TTXWL6D	IMPA2_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.