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Compound Detail

CHEMBL476921

GINKGOLIC ACID 13:0
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CCCCCCCCCCCCCc1cccc(O)c1C(=O)O

Basic Information

ChEMBL ID CHEMBL476921
Name GINKGOLIC ACID 13:0
Phase Preclinical
Structure Type MOL
InChI Key VEPUCZUJLKAVNM-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
5.94
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H32O3
MW 320.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.55

Activity Summary

IC50 2 meas. best 4.79
Ki 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-xL/BAK
CHEMBL3137283
Ki 6.7 6.7 200.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist
CHEMBL3430886
Ki 6.7 6.7 200.0 1
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
CHEMBL5566
IC50 4.79 4.79 16270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33214832 10.1021/acsmedchemlett.0c00353 PC-3 5
21905729 10.1021/jf202386c Cydia pomonella 4
33214832 10.1021/acsmedchemlett.0c00353 Small ubiquitin-related modifier 1 3
27008174 10.1021/acs.jnatprod.5b00915 BH3-interacting domain death agonist 3
27008174 10.1021/acs.jnatprod.5b00915 Bcl-xL/BAK 1
33214832 10.1021/acsmedchemlett.0c00353 Small ubiquitin-related modifier 2 1
33214832 10.1021/acsmedchemlett.0c00353 MDA-MB-231 1
27008174 10.1021/acs.jnatprod.5b00915 Induced myeloid leukemia cell differentiation protein Mcl-1 1
27008174 10.1021/acs.jnatprod.5b00915 Bcl-2-like protein 1 1
27008174 10.1021/acs.jnatprod.5b00915 HCT-116 1
9677265 10.1021/np970367q 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 1
27008174 10.1021/acs.jnatprod.5b00915 Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist 1
9677265 10.1021/np970367q HCT-15 1
9677265 10.1021/np970367q A549 1
9677265 10.1021/np970367q ADMET 1
9677265 10.1021/np970367q HT1197 1
9677265 10.1021/np970367q MCF7 1
9677265 10.1021/np970367q SK-OV-3 1

Data from ChEMBL 36 via Core Engine