Compound Detail
CHEMBL513800
PENICILLIOL B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL513800 |
| Name | PENICILLIOL B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZTKWXBVDPNYJD-KQQUZDAGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
1.04
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase iota CHEMBL5159 | IC50 | 4.49 | 4.49 | 32500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase iota | IC50 | = | 32500.0 | nM | 4.49 | Inhibition of mouse DNA polymerase iota | 19223184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19223184 | 10.1016/j.bmc.2009.01.064 | Unchecked | 15 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA polymerase iota | 3 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA polymerase eta | 2 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA polymerase kappa | 2 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA polymerase beta | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA polymerase lambda | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA nucleotidylexotransferase | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA-directed DNA polymerase | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | Telomerase reverse transcriptase | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | DNA topoisomerase 1 | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | Polynucleotide kinase | 1 |
| 19223184 | 10.1016/j.bmc.2009.01.064 | Deoxyribonuclease-1 | 1 |
Data from ChEMBL 36 via Core Engine