Compound Detail
CHEMBL1644117
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Cc1cccc2c1c(C(=O)NC[C@H](NC(=O)c1c(Cl)cc3c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C3)C(=O)O)cn2S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL1644117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPHDKWKCIYCLSO-QHCPKHFHSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
706.0
MW (Da)
4.53
ALogP
7
HBA
3
HBD
154.9
PSA (Ų)
0.24
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