Compound Detail
CHEMBL298623
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CC(C)(CC(=O)O)CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL298623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRSVWLBREHQZBN-NZZDZQSLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
598.9
MW (Da)
8.68
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL CHEMBL614914 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL | IC50 | = | 86000.0 | nM | 4.07 | Compound was tested for its cytotoxicity against human malignant melanoma cell l... | 10450948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10450948 | 10.1016/s0960-894x(99)00314-5 | Homo sapiens | 1 |
| 10450948 | 10.1016/s0960-894x(99)00314-5 | SK-MEL | 1 |
| 10450948 | 10.1016/s0960-894x(99)00314-5 | Unchecked | 1 |
| 10450948 | 10.1016/s0960-894x(99)00314-5 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine