Compound Detail
CHEMBL3597012
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Basic Information
| ChEMBL ID | CHEMBL3597012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSZDODQDQINNHM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.9
MW (Da)
5.02
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | IC50 | 6.57 | 6.23 | 270.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of human PAK1 kinase domain incubated for 120 mins using fluorescent ... | - |
| Serine/threonine-protein kinase PAK 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of PAK1 (unknown origin) expressed in cryopreserved human MCF10A cell... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00280F | Unchecked | 3 |
| - | 10.1039/C4MD00280F | Serine/threonine-protein kinase PAK 1 | 2 |
| - | 10.1039/C4MD00280F | No relevant target | 1 |
| - | 10.1039/C4MD00280F | Plasma | 1 |
Data from ChEMBL 36 via Core Engine