Compound Detail
CHEMBL1812030
MYROCIN D Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C[C@]1(C)C=C2[C@@H](O)[C@@H]3OC(=O)[C@@]4(C)CC[C@H]5C[C@]5([C@@H]34)[C@@]2(O)C(=O)C1
Basic Information
| ChEMBL ID | CHEMBL1812030 |
| Name | MYROCIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUKXEXVZJPKXME-KPUXXOKNSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
1.53
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.69
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L5178Y | IC50 | = | 2050.0 | nM | 5.69 | Antiproliferative activity against mouse L5178Y cells after 24 hrs by MTT assay | 21741249 |
| HUVEC | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of VEGF-A induced HUVEC cell sprouting after 24 hrs by angiogenesis a... | 21741249 |
| A2780 | IC50 | = | 41300.0 | nM | 4.38 | Antiproliferative activity against human A2780 cells after 24 hrs by MTT assay | 21741249 |
| K562 | IC50 | = | 50300.0 | nM | 4.3 | Antiproliferative activity against human K562 cells after 24 hrs by MTT assay | 21741249 |
| A2780 | IC50 | = | 66000.0 | nM | 4.18 | Antiproliferative activity against human cisplatin resistant A2780 cells after 2... | 21741249 |
| HUVEC | IC50 | = | 70800.0 | nM | 4.15 | Antiangiogenesis activity in HUVEC assessed as inhibition of VEGF-induced cell p... | 21718054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741249 | 10.1016/j.bmc.2011.06.013 | A2780 | 2 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 21718054 | 10.1021/np200108h | NON-PROTEIN TARGET | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | HUVEC | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Vascular endothelial growth factor receptor 2 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Serine/threonine-protein kinase N1 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Serine/threonine-protein kinase PLK1 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Serine/threonine-protein kinase pim-1 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Serine/threonine-protein kinase Nek6 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Serine/threonine-protein kinase Nek2 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Hepatocyte growth factor receptor | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | L5178Y | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Insulin-like growth factor 1 receptor | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Focal adhesion kinase 1 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Tyrosine-protein kinase receptor UFO | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | Aurora kinase B | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | NUAK family SNF1-like kinase 1 | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | ALK tyrosine kinase receptor | 1 |
| 21741249 | 10.1016/j.bmc.2011.06.013 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine