Compound Detail
CHEMBL510103
PHEOPHORBIDE A Enter ChEMBL ID:
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C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C
Basic Information
| ChEMBL ID | CHEMBL510103 |
| Name | PHEOPHORBIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSFSLUUZQIAOOX-QEWKCGBTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
592.7
MW (Da)
7.12
ALogP
6
HBA
3
HBD
138.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against HIV1 3B infected in human HOG.R5 assessed as inhibiti... | 12608862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11473423 | 10.1021/np000595b | KB | 4 |
| 11473423 | 10.1021/np000595b | Unchecked | 4 |
| 32787102 | 10.1021/acs.jmedchem.0c00961 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 11473423 | 10.1021/np000595b | 1A9 | 1 |
| 11473423 | 10.1021/np000595b | NON-PROTEIN TARGET | 1 |
| 11473423 | 10.1021/np000595b | SK-MEL | 1 |
| 11473423 | 10.1021/np000595b | A549 | 1 |
| 11473423 | 10.1021/np000595b | HCT-8 | 1 |
| 11473423 | 10.1021/np000595b | MCF7 | 1 |
| 12608862 | 10.1021/np020379y | ADMET | 1 |
| 12608862 | 10.1021/np020379y | Human immunodeficiency virus 1 | 1 |
| 12608862 | 10.1021/np020379y | Unchecked | 1 |
| 21873067 | 10.1016/j.bmc.2011.07.058 | HeLa | 1 |
| 24404757 | 10.1021/np400779v | Human immunodeficiency virus 1 | 1 |
| 24495846 | 10.1016/j.bmcl.2014.01.046 | Seed linoleate 9S-lipoxygenase | 1 |
| 29547272 | 10.1021/acs.jmedchem.7b01012 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine