Details of the Drug

General Information of Drug (ID: DMHIG9K)

Drug Name

Beta-D-Mannose

Synonyms

beta-D-Mannopyranose; beta-D-Mannose; beta-Mannose; 7322-31-8; UNII-CUO87O37MT; (2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; CUO87O37MT; CHEBI:28563; beta-1,4-Mannan; Epitope ID:137485; (1-> 2)-beta-D-mannan; 4)-beta-D-mannan; AC1L97TQ; SCHEMBL396651; 2)-beta-D-mannopyranan; CHEBI:80962; CHEBI:59573; CHEBI:27857; [2)-beta-D-Manp-(1-> WQZGKKKJIJFFOK-RWOPYEJCSA-N; ZINC3830679; GUP; NE16895; C02209; WURCS=2.0/1,1,0/[a1122h-1b_1-5]/1/; (2RS,3S,4S,5S,6R)-6-(Hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol

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)

180.16

Logarithm of the Partition Coefficient (xlogp)

-2.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C6H12O6
IUPAC Name: (2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKey: WQZGKKKJIJFFOK-RWOPYEJCSA-N

Cross-matching ID

PubChem CID: 439680
ChEBI ID: CHEBI:28563
CAS Number: 7322-31-8
TTD ID: D0SD9H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase XIV (CA-XIV)	TTEYTKG	CAH14_HUMAN	Inhibitor	[1]
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]
Influenza Neuraminidase (Influ NA)	TT50QJ3	NRAM_I33A0	Inhibitor	[1]
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]
Rhodopsin (RHO)	TTH0KSX	OPSD_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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