Compound Detail
CHEMBL276677
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O=C(N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(=O)c(O)cc21)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL276677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLZXCRRRHSUTIZ-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
2.07
ALogP
9
HBA
8
HBD
187.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HOS CHEMBL614736 | EC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HOS | EC50 | = | 28000.0 | nM | 4.55 | Effective concentration required to inhibit growth of sub clone Hos colR cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80284-X | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80284-X | HOS | 1 |
Data from ChEMBL 36 via Core Engine