Compound Detail
CHEMBL94172
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CCCCCC1C(C(=O)OCCCN2CCN(Cc3ccccc3)CC2)=C(C)N=C(C)/C1=C(/O)OCCCN1CCN(Cc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL94172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHMARQWHVPBYAO-OHYVAXEESA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
700.0
MW (Da)
6.68
ALogP
9
HBA
1
HBD
81.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206476 | 10.1016/s0960-894x(00)00651-x | KB 3-1 | 1 |
| 11206476 | 10.1016/s0960-894x(00)00651-x | Mus musculus | 1 |
| 11206476 | 10.1016/s0960-894x(00)00651-x | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine