Compound Detail
CHEMBL141693
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COc1ccc(C(c2ccc(OC)cc2)N2CCN(CC(O)CSc3[nH]cnc4ncnc3-4)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL141693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRCYMWHSZPNBNH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
3.18
ALogP
9
HBA
2
HBD
99.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 500.0 | nM | 6.3 | Relative change in CF was determined by calculating the effective concentration ... | 1335073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1335073 | 10.1021/jm00102a001 | Canis familiaris | 4 |
| 1335073 | 10.1021/jm00102a001 | NON-PROTEIN TARGET | 1 |
| 1335073 | 10.1021/jm00102a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine