Compound Detail
CHEMBL349429
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Basic Information
| ChEMBL ID | CHEMBL349429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JORRCOAZDNYPNS-DTWKUNHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
1.50
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM/VCR-1000 CHEMBL614540 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM/VCR-1000 | EC50 | = | 1400.0 | nM | 5.85 | MDR-modulating activity as a measure to inhibit P-glycoprotein (PGP) mediated tr... | 9871549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871549 | 10.1016/s0960-894x(98)00115-2 | CCRF-CEM/VCR-1000 | 1 |
Data from ChEMBL 36 via Core Engine