Compound Detail
CHEMBL1762546
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Basic Information
| ChEMBL ID | CHEMBL1762546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVWHSTCJCURGMH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
3.03
ALogP
9
HBA
2
HBD
107.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 8.52 | 8.24 | 3.0 | 2 |
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | IC50 | 7.0 | 6.255 | 100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 17.0 | % | Rattus norvegicus |
| Fu | 0.085 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human EPHB4 | 21441027 |
| Ephrin type-B receptor 4 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells | 21441027 |
| Serine/threonine-protein kinase PAK 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay | 27994749 |
| Serine/threonine-protein kinase PAK 1 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of PAK1 phosphorylation in human MCF10A cells | 27994749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994749 | 10.1021/acsmedchemlett.6b00322 | Unchecked | 4 |
| 21441027 | 10.1016/j.bmcl.2011.03.009 | Rattus norvegicus | 3 |
| 21441027 | 10.1016/j.bmcl.2011.03.009 | Ephrin type-B receptor 4 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 27994749 | 10.1021/acsmedchemlett.6b00322 | Serine/threonine-protein kinase PAK 1 | 2 |
| 21441027 | 10.1016/j.bmcl.2011.03.009 | Plasma | 1 |
| 21441027 | 10.1016/j.bmcl.2011.03.009 | No relevant target | 1 |
| 27994749 | 10.1021/acsmedchemlett.6b00322 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine