Details of the Drug

General Information of Drug (ID: DMCTUR1)

Drug Name

Carboxylic PRPP

Synonyms

CARBOXYLIC PRPP; CPRPP; 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE; AC1L9FVP; CARBOXYLIC PRPP; CPRPP; DB03942; (1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate; [(1S,2R,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl] phosphono hydrogen 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

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

388.1

Logarithm of the Partition Coefficient (xlogp)

-5.2

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

7

Hydrogen Bond Acceptor Count (hbondacc)

13

Chemical Identifiers

Formula: C6H15O13P3
IUPAC Name: [(1S,2R,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl] phosphono hydrogen phosphate
Canonical SMILES: C1[C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O
InChI: InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1
InChIKey: OICBXEWBKALHHB-MOJAZDJTSA-N

Cross-matching ID

PubChem CID: 444189
DrugBank ID: DB03942
TTD ID: D00GHB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ)	TTBL49X	HGXR_PLAFG	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.