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Compound Detail

CHEMBL264167

(-)-GALLOCATECHIN
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Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264167
Name (-)-GALLOCATECHIN
Phase Preclinical
Structure Type MOL
InChI Key XMOCLSLCDHWDHP-DOMZBBRYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
1.25
ALogP
7
HBA
6
HBD
130.6
PSA (Ų)
0.44
QED
1
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 C15H14O7
MW 306.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 2.27

Literature References

PubMed DOI Target Context # Activities
18313308 10.1016/j.bmc.2008.02.030 Unchecked 3
16722653 10.1021/jm0600545 Plasmodium falciparum 2
16722653 10.1021/jm0600545 Fatty acid synthase 1
16722653 10.1021/jm0600545 Enoyl-acyl-carrier protein reductase 1
16722653 10.1021/jm0600545 3-oxoacyl-acyl-carrier protein reductase 1
18313308 10.1016/j.bmc.2008.02.030 Glucose-6-phosphate 1-dehydrogenase 1
18313308 10.1016/j.bmc.2008.02.030 6-phosphogluconate dehydrogenase, decarboxylating 1
20565070 10.1021/np1000945 NON-PROTEIN TARGET 1
- 10.1007/s00044-008-9151-y NON-PROTEIN TARGET 1
36385933 10.1021/acsmedchemlett.2c00163 NAD kinase 1

Data from ChEMBL 36 via Core Engine