Compound Detail
CHEMBL1318485
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Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1.Cl
Basic Information
| ChEMBL ID | CHEMBL1318485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAHGBJWUTMSGDO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1617365 |
| Active Moiety | CHEMBL1617365 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
5.08
ALogP
6
HBA
0
HBD
73.8
PSA (Ų)
0.41
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.18 | 2071.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2071.67 | nM | 5.68 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits ... | - |
| Unchecked | IC50 | = | 20910.0 | nM | 4.68 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits o... | - |
Data from ChEMBL 36 via Core Engine