Compound Detail
CHEMBL4849830
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CCc1cc2c(cc1N1CCC(N3CCN(CCCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
Basic Information
| ChEMBL ID | CHEMBL4849830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEUADQAAUYBLGF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
804.0
MW (Da)
6.04
ALogP
8
HBA
2
HBD
132.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SR CHEMBL614300 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SR | IC50 | = | 1.2 | nM | 8.92 | Antiproliferative activity against ALK positive human SR cells | 33751979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33751979 | 10.1016/j.ejmech.2021.113335 | SR | 1 |
Data from ChEMBL 36 via Core Engine