Compound Detail
CHEMBL4742712
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Basic Information
| ChEMBL ID | CHEMBL4742712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWBHUSLMHZLGRN-UHFFFAOYSA-N |
9
Targets
11
Activities
2
Assay Types
9
PK Parameters
20
Publications
0
Known Names
Molecular Properties
461.9
MW (Da)
2.51
ALogP
4
HBA
2
HBD
95.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.0
EC50 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RS4-11 CHEMBL2366159 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Bone marrow cell CHEMBL4296515 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Protein cereblon/GSPT1 CHEMBL4296168 | EC50 | 8.05 | 7.52 | 9.0 | 3 |
| OCI-AML2 CHEMBL2366220 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| U-266 CHEMBL2366315 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 7.21 | 7.21 | 62.0 | 1 |
| Protein cereblon/DNA damage-binding protein 1 CHEMBL4630734 | IC50 | 6.08 | 6.08 | 824.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 67.9 | mL.min-1.kg-1 | Mus musculus |
| CL | 28.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 6.96 | L/hr | Homo sapiens |
| MRT | 0.24 | hr | Mus musculus |
| MRT | 1.3 | hr | Rattus norvegicus |
| MRT | 4.0 | hr | Macaca fascicularis |
| T1/2 | 9.3 | hr | Homo sapiens |
| Vd | 61.69 | l | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine