Compound Detail
CHEMBL5274495
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CC(C)(C)c1cc(NC(=O)Nc2ncc(CCNc3ncnc4[nH]c(-c5ccccc5)cc34)s2)no1
Basic Information
| ChEMBL ID | CHEMBL5274495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYQHKMIQKXCKKU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
5.67
ALogP
8
HBA
4
HBD
133.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-13 CHEMBL3706572 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 7.0 | nM | 8.15 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 32659083 |
| MOLM-13 | IC50 | = | 7.0 | nM | 8.15 | Cytotoxicity against human MOLM-13 cells assessed as reduction in cell viability... | 32659083 |
| Aurora kinase A | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Aurora-A (unknown origin) | 32659083 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 67.0 | nM | 7.17 | 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-13 | 1 |
| 32659083 | 10.1021/acs.jmedchem.0c00696 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine