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Compound Detail

CHEMBL465398

QUINIC ACID
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O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1

Basic Information

ChEMBL ID CHEMBL465398
Name QUINIC ACID
Phase Preclinical
Structure Type MOL
InChI Key AAWZDTNXLSGCEK-WYWMIBKRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
-2.32
ALogP
5
HBA
5
HBD
118.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H12O6
MW 192.17
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 2.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3430163 10.1021/np50052a004 Hepatocyte 8
22921742 10.1016/j.bmc.2012.08.001 Amyloid-beta precursor protein 4
15936191 10.1016/j.bmcl.2005.05.004 E-selectin 2
15936191 10.1016/j.bmcl.2005.05.004 P-selectin 2
9986720 10.1021/jm9804735 MT2 1
9986720 10.1021/jm9804735 Human immunodeficiency virus 1 1
9986720 10.1021/jm9804735 Human immunodeficiency virus type 1 integrase 1
15921434 10.1021/np0500631 Unchecked 1
19674895 10.1016/j.bmcl.2009.07.096 Radical scavenging activity 1
19674895 10.1016/j.bmcl.2009.07.096 A549 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
26395057 10.1016/j.bmc.2015.09.007 Alpha amylase 1

Data from ChEMBL 36 via Core Engine