Compound Detail
CHEMBL374628
HYDROXYHOPANONE Enter ChEMBL ID:
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CC(C)(O)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C
Basic Information
| ChEMBL ID | CHEMBL374628 |
| Name | HYDROXYHOPANONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVNUNRUPWXZKAL-RVUONTCYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
442.7
MW (Da)
7.43
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COLO 205 CHEMBL614561 | IC50 | 4.11 | 4.11 | 77100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COLO 205 | IC50 | = | 77100.0 | nM | 4.11 | Cytotoxicity against human COLON205 cells after 48 hrs by MTT assay | 17346076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17346076 | 10.1021/np060631s | ADMET | 4 |
| 17346076 | 10.1021/np060631s | KB | 1 |
| 17346076 | 10.1021/np060631s | K562 | 1 |
| 17346076 | 10.1021/np060631s | MCF7 | 1 |
| 17346076 | 10.1021/np060631s | COLO 205 | 1 |
| 2828553 | 10.1021/np50052a022 | Human alphaherpesvirus 1 | 1 |
| 2828553 | 10.1021/np50052a022 | Human alphaherpesvirus 2 | 1 |
Data from ChEMBL 36 via Core Engine