Compound Detail
CHEMBL3182098
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Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)NCCc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3182098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSYILTRFSNGQMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
606.9
MW (Da)
6.27
ALogP
5
HBA
4
HBD
146.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.03 | 9242.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9242.0 | nM | 5.03 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Data from ChEMBL 36 via Core Engine