Compound Detail
CHEMBL5173987
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CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)cc1NC1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL5173987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SARPTDQIBWRNNB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
3.30
ALogP
9
HBA
3
HBD
108.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.16 | 8.975 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.69 | nM | 9.16 | Inhibition of human recombinant His-tagged FLT3/D835Y mutant expressed in baculo... | 35489222 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.63 | nM | 8.79 | Inhibition of human recombinant His-tagged FLT3 kinase domain (564 to 958 residu... | 35489222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35489222 | 10.1016/j.ejmech.2022.114356 | MOLM-14 | 3 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | BaF3 | 3 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | MV4-11 | 1 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | Huh-7 | 1 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | HepG2 | 1 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | K562 | 1 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | A549 | 1 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | MDA-MB-231 | 1 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | HCT-116 | 1 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine