Compound Detail
CHEMBL64906
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Basic Information
| ChEMBL ID | CHEMBL64906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEVBRBRQHZECDC-VPTOSAMDSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.8
MW (Da)
9.60
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.13
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.27
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3262 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Lanosterol synthase CHEMBL3593 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Lanosterol synthase CHEMBL3262 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | Ki | = | 500.0 | nM | 6.3 | Compound was tested for kinetic inhibition constant against Oxidosqualene-lanost... | 9003518 |
| Lanosterol synthase | IC50 | = | 540.0 | nM | 6.27 | Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase ... | 9003518 |
| Lanosterol synthase | IC50 | = | 700.0 | nM | 6.16 | Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase ... | 9003518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003518 | 10.1021/jm960483a | Lanosterol synthase | 4 |
Data from ChEMBL 36 via Core Engine