Compound Detail
CHEMBL1807176
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CC(C)NC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL1807176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INJHGGCGYRZCTG-ASSZOBSKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.8
MW (Da)
6.79
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.40
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.59 | 4.59 | 25660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 25660.0 | nM | 4.59 | Cytotoxicity against human NTUB1 cells after 72 hrs by MTT assay | 21696969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696969 | 10.1016/j.bmc.2011.05.054 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine