Compound Detail
CHEMBL1993634
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)N(CCN)CCO)c2)n1
Basic Information
| ChEMBL ID | CHEMBL1993634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMEBXAAIDQRNQS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
4.36
ALogP
6
HBA
4
HBD
125.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Serine/threonine-protein kinase TAO1 CHEMBL5261 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 630.96 | nM | 6.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Platelet-derived growth factor receptor alpha | Ki | = | 794.33 | nM | 6.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | Ki | = | 1258.93 | nM | 5.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase TAO1 | Ki | = | 2511.89 | nM | 5.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 8 | Ki | = | 3162.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine