Compound Detail
CHEMBL3640762
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Basic Information
| ChEMBL ID | CHEMBL3640762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQVNWLWVULSZAV-UHFFFAOYSA-N |
7
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
2.39
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.8
Ki 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2A6 CHEMBL5282 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.8 | 5.8 | 1590.0 | 2 |
| Cytochrome P450 2A6 CHEMBL5282 | IC50 | 5.73 | 5.595 | 1850.0 | 2 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Cytochrome P450 2B6 CHEMBL4729 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
| Cytochrome P450 2E1 CHEMBL5281 | IC50 | 4.51 | 4.51 | 31100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine