Compound Detail
CHEMBL1973348
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Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL1973348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMSLHIHVUFAAJQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.0
MW (Da)
5.65
ALogP
5
HBA
3
HBD
107.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 100.0 | nM | 7.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase pim-2 | Ki | = | 158.49 | nM | 6.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 | Ki | = | 1584.89 | nM | 5.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| LIM domain kinase 1 | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine