Compound Detail
CHEMBL3597011
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Basic Information
| ChEMBL ID | CHEMBL3597011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOQSDEILBQECQK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
5.10
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | IC50 | 9.0 | 7.925 | 1.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.035 | - | 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 | = | 1.0 | nM | 9.0 | Inhibition of human PAK1 kinase domain incubated for 120 mins using fluorescent ... | - |
| Serine/threonine-protein kinase N1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PAK1 (unknown origin) | 25415869 |
| Serine/threonine-protein kinase PAK 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of PAK1 (unknown origin) expressed in cryopreserved human MCF10A cell... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00280F | Unchecked | 3 |
| 25415869 | 10.1021/jm501613q | Unchecked | 3 |
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase N1 | 3 |
| - | 10.1039/C4MD00280F | Serine/threonine-protein kinase PAK 1 | 3 |
| 25415869 | 10.1021/jm501613q | Tyrosine-protein kinase Lyn | 2 |
| - | 10.1039/C4MD00280F | No relevant target | 1 |
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase B-raf | 1 |
| 25415869 | 10.1021/jm501613q | Aurora kinase A | 1 |
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase WNK2 | 1 |
| 25415869 | 10.1021/jm501613q | Tyrosine-protein kinase ABL1 | 1 |
| 25415869 | 10.1021/jm501613q | RAC-alpha serine/threonine-protein kinase | 1 |
| 25415869 | 10.1021/jm501613q | Activin receptor type-1B | 1 |
| - | 10.1039/C4MD00280F | Plasma | 1 |
| - | 10.1039/C4MD00280F | Tyrosine-protein kinase Yes | 1 |
| - | 10.1039/C4MD00280F | Proto-oncogene tyrosine-protein kinase Src | 1 |
| - | 10.1039/C4MD00280F | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| - | 10.1039/C4MD00280F | Protein-tyrosine kinase 6 | 1 |
| - | 10.1039/C4MD00280F | Tyrosine-protein kinase Lyn | 1 |
| - | 10.1039/C4MD00280F | Tyrosine-protein kinase Lck | 1 |
| - | 10.1039/C4MD00280F | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine