Compound Detail
CHEMBL507308
PUNICAFOLIN Enter ChEMBL ID:
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O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL507308 |
| Name | PUNICAFOLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPBVYZVSXAZMAY-UUUCSUBKSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
938.7
MW (Da)
1.67
ALogP
26
HBA
15
HBD
444.2
PSA (Ų)
0.07
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
EC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against protein kinase C (PKC) | - |
| Protein kinase C (PKC) | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against protein kinase C of rat brain | 8289196 |
| Human immunodeficiency virus 1 | EC50 | = | 19000.0 | nM | 4.72 | Anti-HIV activity in cell culture assay expressed as EC50 values. | - |
| Human immunodeficiency virus 1 | IC50 | = | 34000.0 | nM | 4.47 | Anti-HIV activity in cell culture assay expressed as IC50 values. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus 1 | 3 |
| 8289196 | 10.1021/jm00027a025 | Protein kinase C (PKC) | 2 |
| - | 10.1016/S0960-894X(00)80422-9 | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Protein kinase C (PKC) | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Protein kinase C, PKC; classical/novel | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Unchecked | 1 |
| 8289196 | 10.1021/jm00027a025 | Unchecked | 1 |
| 1431932 | 10.1021/np50086a002 | TE-671 | 1 |
| 1431932 | 10.1021/np50086a002 | HCT-8 | 1 |
| 1431932 | 10.1021/np50086a002 | A549 | 1 |
| 1431932 | 10.1021/np50086a002 | KB | 1 |
| 1431932 | 10.1021/np50086a002 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine