Compound Detail
CHEMBL1631966
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CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCCCCCCCCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
Basic Information
| ChEMBL ID | CHEMBL1631966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GANHEBGRRRTYQU-LMDIZTLJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
765.2
MW (Da)
14.18
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against RAMEC assessed as cell viability after 24 hrs by MTT assay | 21041094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21041094 | 10.1016/j.bmc.2010.10.012 | NON-PROTEIN TARGET | 2 |
| 21041094 | 10.1016/j.bmc.2010.10.012 | Unchecked | 2 |
| 21041094 | 10.1016/j.bmc.2010.10.012 | ADMET | 1 |
| 21041094 | 10.1016/j.bmc.2010.10.012 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine