Compound Detail
CHEMBL470883
MONOCILLIN IV Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL470883 |
| Name | MONOCILLIN IV |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSBASKMWDAUNEI-OGOUPESXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.28
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Phytophthora litchii CHEMBL4296591 | IC50 | 4.47 | 4.47 | 33600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 3600.0 | nM | 5.44 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 28749671 |
| Phytophthora litchii | IC50 | = | 33600.0 | nM | 4.47 | Antifungal activity against Peronophythora litchii after 8 hrs by conidial germi... | 28749671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1021/np50107a012 | Agrobacterium tumefaciens | 5 |
| 23659286 | 10.1021/np300653d | Cannabinoid receptor 2 | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | MCF7 | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | A549 | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | HeLa | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | Fusarium verticillioides | 1 |
| 28749671 | 10.1021/acs.jnatprod.7b00066 | Phytophthora litchii | 1 |
| 23659286 | 10.1021/np300653d | Delta-type opioid receptor | 1 |
| 23659286 | 10.1021/np300653d | Kappa-type opioid receptor | 1 |
| 23659286 | 10.1021/np300653d | Mu-type opioid receptor | 1 |
| 23659286 | 10.1021/np300653d | Cannabinoid receptor 1 | 1 |
| - | 10.1021/np50107a012 | Chaetomium | 1 |
| - | 10.1021/np50107a012 | Curvularia lunata | 1 |
| - | 10.1021/np50107a012 | Aspergillus flavus | 1 |
| - | 10.1021/np50107a012 | Citrobacter freundii | 1 |
| - | 10.1021/np50107a012 | Enterobacter cloacae | 1 |
| - | 10.1021/np50107a012 | Escherichia coli | 1 |
| - | 10.1021/np50107a012 | Brochothrix thermosphacta | 1 |
| - | 10.1021/np50107a012 | Bacillus cereus | 1 |
| - | 10.1021/np50107a012 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine