Compound Detail
CHEMBL5269280
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Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1c(N)ncc2ccc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL5269280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRNNGONZVJUBCF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
592.1
MW (Da)
6.20
ALogP
5
HBA
2
HBD
74.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
| MOLM-14 CHEMBL3706570 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 0.49 | nM | 9.31 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 32659083 |
| MOLM-14 | IC50 | = | 0.72 | nM | 9.14 | Antiproliferative activity against human MOLM-14 cells expressing FLT3-ITD mutan... | 32659083 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 4.5 | nM | 8.35 | Inhibition of Src (unknown origin) | 32659083 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 6.5 | nM | 8.19 | Inhibition of FLT3-ITD mutant (unknown origin) | 32659083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32659083 | 10.1021/acs.jmedchem.0c00696 | MV4-11 | 1 |
| 32659083 | 10.1021/acs.jmedchem.0c00696 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 32659083 | 10.1021/acs.jmedchem.0c00696 | MOLM-14 | 1 |
| 32659083 | 10.1021/acs.jmedchem.0c00696 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine