Compound Detail
CHEMBL205924
MORACIN O Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL205924 |
| Name | MORACIN O |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMTMYIWMPJSCAZ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.59
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.85
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 9.85 | 9.01 | 0.1 | 2 |
| Hep 3B2 CHEMBL4296437 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 8.75 | 6.945 | 1.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 0.14 | nM | 9.85 | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell... | 19072214 |
| Hep 3B2 | EC50 | = | 1.0 | nM | 9.0 | Effect on luciferase activity in human Hep3B cells exposed to hypoxic condition ... | 19072214 |
| Hep 3B2 | IC50 | = | 1.79 | nM | 8.75 | Inhibition of luciferase expression in human Hep3B cells after 16 hrs under hypo... | 19072214 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 6.76 | nM | 8.17 | Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16... | 21481991 |
| Hep 3B2 | IC50 | = | 7220.0 | nM | 5.14 | Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ... | 19072214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435418 | 10.1021/acsmedchemlett.0c00047 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 9 |
| 19072214 | 10.1021/np800491u | Hep 3B2 | 3 |
| 16356713 | 10.1016/j.bmcl.2005.11.071 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 16356713 | 10.1016/j.bmcl.2005.11.071 | Dual specificity protein phosphatase 3 | 1 |
| 16356713 | 10.1016/j.bmcl.2005.11.071 | Unchecked | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia-inducible factor 1-alpha | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 19072214 | 10.1021/np800491u | ADMET | 1 |
| 21481991 | 10.1016/j.ejmech.2011.03.022 | ADMET | 1 |
| 21481991 | 10.1016/j.ejmech.2011.03.022 | Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine