Compound Detail
CHEMBL410852
ANALOGUE A Enter ChEMBL ID:
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O=C(N[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL410852 |
| Name | ANALOGUE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJMXVPPJJMSWFO-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
3.80
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol 14-alpha demethylase CHEMBL3849 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol 14-alpha demethylase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase as... | 17194716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17194716 | 10.1124/dmd.106.013888 | Lanosterol 14-alpha demethylase | 1 |
Data from ChEMBL 36 via Core Engine