Details of the Drug

General Information of Drug (ID: DM9BDV2)

Drug Name

3-Phosphoglycerol

Synonyms

L-Glycerol 1-phosphate; sn-glycerol-1-phosphate; sn-Glycerol 1-phosphate; UNII-196623779E; 5746-57-6; D-(glycerol 3-phosphate); L-(glycerol 1-phosphate); 3-phosphoglycerol; (2S)-2,3-dihydroxypropyl dihydrogen phosphate; sn-glycerol 1-(dihydrogen phosphate); sn-Gro-1-P; 196623779E; L-alpha-glycerophosphate; 1GP; L-alpha-Glycerol phosphate; Glyceryl 1-phosphate, (S)-; L-alpha-Glycerophosphoric acid; 6tim; g3p; Glycerophosphoric acid L-alpha-form [MI]; SCHEMBL7341

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

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

172.07

Logarithm of the Partition Coefficient (xlogp)

-2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C3H9O6P
IUPAC Name: [(2S)-2,3-dihydroxypropyl] dihydrogen phosphate
Canonical SMILES: C([C@@H](COP(=O)(O)O)O)O
InChI: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
InChIKey: AWUCVROLDVIAJX-VKHMYHEASA-N

Cross-matching ID

PubChem CID: 439276
ChEBI ID: CHEBI:16221
CAS Number: 5746-57-6
TTD ID: D03MUW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Pyridoxal phosphate biosynthetic pdxJ (Bact pdxJ)	TTHB48R	PDXJ_ECOLI	Inhibitor	[1]
Bacterial Triosephosphate isomerase (Bact TPI)	TTNS6X4	TPIS_PLAFA	Inhibitor	[1]

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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.