Compound Detail
CHEMBL502351
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Basic Information
| ChEMBL ID | CHEMBL502351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVRYPYDPKSZGNS-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
6
PK Parameters
20
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.62
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.5 | 7.5 | 32.0 | 2 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Bone morphogenetic protein 4 CHEMBL2384894 | IC50 | 6.82 | 6.82 | 152.0 | 1 |
| Bone morphogenetic protein 4 CHEMBL5350 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Bone morphogenetic protein receptor type-1B CHEMBL5476 | IC50 | 5.01 | 5.01 | 9830.0 | 1 |
| Bone morphogenetic protein receptor type-1A CHEMBL5275 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.71 | 4.71 | 19700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 617.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 516.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 148.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.014 | - | Mus musculus |
| Fu | 0.014 | - | Rattus norvegicus |
| Fu | 0.009 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of ALK2 (unknown origin) | 23639540 |
| Activin receptor type-1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of ALK-2 (unknown origin) | 35108017 |
| Activin receptor type-1-like | IC50 | = | 46.0 | nM | 7.34 | Inhibition of ALK1 (unknown origin) | 23639540 |
| Bone morphogenetic protein 4 | IC50 | = | 152.0 | nM | 6.82 | Inhibition of BMP4 in mouse C2C12BRA cells after 14 hrs by luciferase reporter g... | 23639540 |
| Bone morphogenetic protein 4 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of BMP4-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular EL... | 18621530 |
| Bone morphogenetic protein receptor type-1B | IC50 | = | 9830.0 | nM | 5.01 | Inhibition of ALK6 (unknown origin) | 23639540 |
| Bone morphogenetic protein receptor type-1A | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of ALK3 (unknown origin) | 23639540 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 19700.0 | nM | 4.71 | Inhibition of KDR (unknown origin) | 23639540 |
Literature References
Data from ChEMBL 36 via Core Engine