Compound Detail
CHEMBL1641964
CAMPHORATIN A Enter ChEMBL ID:
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C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)C(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1641964 |
| Name | CAMPHORATIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNVQVQLJUASNQK-QTDSDZRTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
488.7
MW (Da)
4.13
ALogP
5
HBA
4
HBD
115.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.04 | 4.04 | 92100.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.03 | 4.03 | 93500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 92100.0 | nM | 4.04 | Cytotoxicity against human A549 cells after 48 hrs by SRB assay | 24387703 |
| MDA-MB-231 | IC50 | = | 93500.0 | nM | 4.03 | Cytotoxicity against human MDA-MB-231 cells after 48 hrs by SRB assay | 24387703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21028898 | 10.1021/np1002143 | NON-PROTEIN TARGET | 1 |
| 21028898 | 10.1021/np1002143 | KB | 1 |
| 24387703 | 10.1021/np400741s | A549 | 1 |
| 24387703 | 10.1021/np400741s | MDA-MB-231 | 1 |
| 24387703 | 10.1021/np400741s | Hs68 | 1 |
Data from ChEMBL 36 via Core Engine