Compound Detail
CHEMBL3561163
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Basic Information
| ChEMBL ID | CHEMBL3561163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPMUOLZCKWSOGS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.50
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.02 | 5.095 | 950.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 950.0 | nM | 6.02 | PubChem BioAssay. Dry powder Dose response confirmation of uHTS inhibitor hits ... | - |
| Unchecked | IC50 | = | 67990.0 | nM | 4.17 | PubChem BioAssay. Dry powder Dose response confirmation uHTS inhibitor hits of t... | - |
Data from ChEMBL 36 via Core Engine