Compound Detail
CHEMBL3915941
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
Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12
Basic Information
| ChEMBL ID | CHEMBL3915941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUPFLUOYXIDHAV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
3.29
ALogP
8
HBA
2
HBD
109.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL4125 | IC50 | 7.89 | 7.89 | 12.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 90.0 | % | Rattus norvegicus |
| T1/2 | 14.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 0.2 | nM | 9.7 | Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in... | 27502700 |
| Platelet-derived growth factor receptor beta | IC50 | = | 12.8 | nM | 7.89 | Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in p... | 27502700 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of M1 receptor (unknown origin) | 27502700 |
| Histamine H3 receptor | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of H3 receptor (unknown origin) | 27502700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27502700 | 10.1021/acs.jmedchem.6b00703 | ADMET | 8 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Rattus norvegicus | 2 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | NON-PROTEIN TARGET | 2 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Muscarinic acetylcholine receptor M1 | 1 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Histamine H3 receptor | 1 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | No relevant target | 1 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Platelet-derived growth factor receptor beta | 1 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine