glucose-6-phosphate

ID: ALA257975

Chembl Id: CHEMBL257975

Cas Number: 15209-12-8

PubChem CID: 439427

Max Phase: Preclinical

Molecular Formula: C6H13O9P

Molecular Weight: 260.13

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Standard InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

Standard InChI Key: NBSCHQHZLSJFNQ-VFUOTHLCSA-N

Associated Targets(Human)

IGF2R Tclin Insulin-like growth factor II receptor (20 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO2A1 Tchem Solute carrier organic anion transporter family member 2A1 (17 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: Yes	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 260.13	Molecular Weight (Monoisotopic): 260.0297	AlogP: -3.10	#Rotatable Bonds: 3
Polar Surface Area: 156.91	Molecular Species: ACID	HBA: 7	HBD: 6
#RO5 Violations: 1	HBA (Lipinski): 9	HBD (Lipinski): 6	#RO5 Violations (Lipinski): 1
CX Acidic pKa: 1.22	CX Basic pKa: ┄	CX LogP: -3.06	CX LogD: -6.59
Aromatic Rings: ┄	Heavy Atoms: 16	QED Weighted: 0.29	Np Likeness Score: 2.27

References

1. Fei X, Connelly CM, MacDonald RG, Berkowitz DB.. (2008) A set of phosphatase-inert "molecular rulers" to probe for bivalent mannose 6-phosphate ligand-receptor interactions., 18 (10): [PMID:18068981] [10.1016/j.bmcl.2007.11.094]
2. Chan BS, Endo S, Kanai N, Schuster VL.. (2002) Identification of lactate as a driving force for prostanoid transport by prostaglandin transporter PGT., 282 (1): [PMID:11997326] [10.1152/ajprenal.00151.2001]

Names and Identifiers