Compound Detail
CHEMBL404204
MONOCILLIN III Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL404204 |
| Name | MONOCILLIN III |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFALPAMSDFFXGY-XLFSOCHTSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.26
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SF-268 CHEMBL613977 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.03 | 9430.0 | 1 |
| Phytophthora litchii CHEMBL4296591 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SF-268 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human SF268 cells by MTT assay | 18052326 |
| MCF7 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human MCF7 cells by MTT assay | 18052326 |
| Human alphaherpesvirus 1 | IC50 | = | 400.0 | nM | 6.4 | Antiviral activity against HSV1 F infected in african green monkey Vero cells as... | 12828470 |
| NCI-H460 | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human NCI-H460 cells by MTT assay | 18052326 |
| A549 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 28749671 |
| HeLa | IC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 28749671 |
| Unchecked | IC50 | = | 9430.0 | nM | 5.03 | Inhibition of WNT5A mRNA expression in human dermal papilla cells after 24 hrs b... | 19447629 |
| Phytophthora litchii | IC50 | = | 12000.0 | nM | 4.92 | Antifungal activity against Peronophythora litchii after 8 hrs by conidial germi... | 28749671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052326 | 10.1021/np070504b | Unchecked | 1 |
| 18052326 | 10.1021/np070504b | MCF7 | 1 |
| 18052326 | 10.1021/np070504b | SF-268 | 1 |
| 18052326 | 10.1021/np070504b | NCI-H460 | 1 |
| 12828470 | 10.1021/np020556v | Human alphaherpesvirus 1 | 1 |
| 12828470 | 10.1021/np020556v | NON-PROTEIN TARGET | 1 |
| 12828470 | 10.1021/np020556v | Neospora caninum | 1 |
| 12828470 | 10.1021/np020556v | Estrogen receptor beta | 1 |
| 12828470 | 10.1021/np020556v | Eimeria tenella | 1 |
| 19447629 | 10.1016/j.bmc.2009.04.060 | Unchecked | 1 |
| 19447629 | 10.1016/j.bmc.2009.04.060 | ADMET | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | Phytophthora litchii | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | Fusarium verticillioides | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | HeLa | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | A549 | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine