EcoDrugPlus


Synonyms	Carubinose D-mannose Mannose NSC-26247 Seminose
Status
Molecule Category	Free-form
UNII	PHA4727WTP
EPA CompTox	DTXSID5040463


InChI Key	WQZGKKKJIJFFOK-QTVWNMPRSA-N
Smiles	OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
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

Property Name	Value
Molecular Formula	C6H12O6
Molecular Weight	180.16
AlogP	-3.22
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	1.0
Polar Surface Area	110.38
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	12.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily	-	-	-	-	48-60

Resources	Reference
ChEBI	4208
ChEMBL	CHEMBL469448
FDA SRS	PHA4727WTP
Human Metabolome Database	HMDB0000169
Guide to Pharmacology	4650
KEGG	C00159
SureChEMBL	SCHEMBL38300

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

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