Compound Detail
CHEMBL325752
PENICILLIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL325752 |
| Name | PENICILLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOWGLBYIKHMCIS-HNNXBMFYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.25
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| RD CHEMBL614144 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| Oxytocin receptor CHEMBL3996 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6700.0 | nM | 5.17 | Cytotoxicity against human Hep2 cells by neutral red method | 26291474 |
| Unchecked | IC50 | = | 7100.0 | nM | 5.15 | Concentration required for inhibition of calpain | 15896956 |
| RD | IC50 | = | 7800.0 | nM | 5.11 | Cytotoxicity against human RD cells by neutral red method | 26291474 |
| Oxytocin receptor | IC50 | = | 67000.0 | nM | 4.17 | Compound was tested for its ability to inhibit binding of Oxytocin to its Oxytoc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26291474 | 10.1021/acs.jnatprod.5b00575 | Amphibalanus amphitrite | 2 |
| - | 10.1016/S0960-894X(01)80905-7 | Oxytocin receptor | 1 |
| - | 10.1016/S0960-894X(01)80905-7 | Vasopressin V2 receptor | 1 |
| 15896956 | 10.1016/j.bmcl.2005.04.031 | Unchecked | 1 |
| 23148724 | 10.1021/np300377b | Artemia | 1 |
| 26291474 | 10.1021/acs.jnatprod.5b00575 | NON-PROTEIN TARGET | 1 |
| 26291474 | 10.1021/acs.jnatprod.5b00575 | RD | 1 |
Data from ChEMBL 36 via Core Engine