Compound Detail
CHEMBL501906
PELTATOL A Enter ChEMBL ID:
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C=CC(C)(CC/C=C(\C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc(C(C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1
Basic Information
| ChEMBL ID | CHEMBL501906 |
| Name | PELTATOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBBLBOYXADGJGC-RWRHWQIFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
626.9
MW (Da)
12.01
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against HIV1 in human CEM-SS cells assessed as inhibition of ... | 11430019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11430019 | 10.1021/np0003995 | Human immunodeficiency virus 1 | 1 |
| 11430019 | 10.1021/np0003995 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine