Compound Detail
CHEMBL556082
MEIOGYNIN A Enter ChEMBL ID:
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CC(C)=CCC[C@@H](C)[C@H]1C=C[C@@]2(C(=O)O)[C@H](CC(C)=C[C@@H]2/C=C(\C)C2CCC(C(=O)O)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL556082 |
| Name | MEIOGYNIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTBMTWUPWVANPM-PHEJYOGTSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
468.7
MW (Da)
7.44
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.58
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-xL/BAK CHEMBL3137283 | Ki | 5.58 | 5.315 | 2600.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist CHEMBL3430886 | Ki | 5.42 | 5.245 | 3800.0 | 2 |
| KB CHEMBL398 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-xL/BAK | Ki | = | 2600.0 | nM | 5.58 | Inhibition of His-tagged Bcl-xL/5-carboxyfluorescein-Bak (unknown origin) after ... | 27008174 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | Ki | = | 3800.0 | nM | 5.42 | Inhibition of Mcl1/Bid (unknown origin) interaction | 25266781 |
| KB | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human KB cells | 19161318 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | Ki | = | 8600.0 | nM | 5.07 | Inhibition of His-tagged Mcl-1/5-carboxyfluorescein-Bid (unknown origin) after 1... | 27008174 |
| Bcl-xL/BAK | Ki | = | 9000.0 | nM | 5.05 | Inhibition of Bcl-xL/Bak (unknown origin) interaction | 25266781 |
| Bcl-2-like protein 1 | Ki | = | 10800.0 | nM | 4.97 | Displacement of fluorescent-tagged BH3 domain of Bak from Bcl-xL by fluorescence... | 19161318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19161318 | 10.1021/np8006292 | Bcl-2-like protein 1 | 1 |
| 19161318 | 10.1021/np8006292 | KB | 1 |
| 25266781 | 10.1016/j.bmcl.2014.09.004 | Bcl-xL/BAK | 1 |
| 25266781 | 10.1016/j.bmcl.2014.09.004 | Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Bcl-xL/BAK | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | 1 |
Data from ChEMBL 36 via Core Engine