Compound Detail
CHEMBL1644116
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NS(=O)(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL1644116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGXOKBIHOOPRTG-QFIPXVFZSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
693.0
MW (Da)
3.46
ALogP
7
HBA
4
HBD
180.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21109434 | 10.1016/j.bmcl.2010.11.014 | Rattus norvegicus | 3 |
| 21109434 | 10.1016/j.bmcl.2010.11.014 | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | 2 |
Data from ChEMBL 36 via Core Engine