Compound Detail
CHEMBL469053
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Basic Information
| ChEMBL ID | CHEMBL469053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFUOPMIITSRNOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.24
ALogP
7
HBA
0
HBD
58.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 4 CHEMBL5350 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 104.0 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 0.2217 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 4 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of BMP4-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular EL... | 18621530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18621530 | 10.1016/j.bmcl.2008.06.052 | ADMET | 2 |
| 18621530 | 10.1016/j.bmcl.2008.06.052 | Bone morphogenetic protein 4 | 1 |
Data from ChEMBL 36 via Core Engine