Compound Detail
CHEMBL410693
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Cl.Cl.Cl.Cl.O=C(NCC1CCN2CCC(CO)N=C2N1)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCC5CCN6CCC(CO)N=C6N5)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCC5CCN6CCC(CO)N=C6N5)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCC5CCN6CCC(CO)N=C6N5)cc4)c4nc2C=C4)C=C3)cc1
Basic Information
| ChEMBL ID | CHEMBL410693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUDJKTFUHHLGEU-DXDNHNCMSA-N |
| Parent Compound | CHEMBL1185376 |
| Active Moiety | CHEMBL1185376 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1511.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.82 | 4.82 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity for relative cell viability compared to untreated control in CEF ce... | 12747777 |
| NON-PROTEIN TARGET | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity for relative cell viability compared to untreated control in BM2 ce... | 12747777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747777 | 10.1021/jm021060d | NON-PROTEIN TARGET | 3 |
| 12747777 | 10.1021/jm021060d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine