Compound Detail
CHEMBL541841
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Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(N(CCCl)CCCl)cn4C)cn3C)cn2C)cc1C(=O)NCCC(=N)N
Basic Information
| ChEMBL ID | CHEMBL541841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTJYETIRAGWQHD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190909 |
| Active Moiety | CHEMBL1190909 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
700.6
MW (Da)
3.14
ALogP
10
HBA
6
HBD
189.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 10.09 | 10.09 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 0.081 | nM | 10.09 | In vitro antitumor activity evaluated against L1210 murine leukemia cell line | 10893305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893305 | 10.1021/jm9911229 | L1210 | 7 |
| 2590277 | 10.1021/jm00124a008 | L1210 | 3 |
| 2590277 | 10.1021/jm00124a008 | L1210/LPAM | 3 |
| 10893305 | 10.1021/jm9911229 | Unchecked | 2 |
| 2590277 | 10.1021/jm00124a008 | HeLa | 1 |
| 2590277 | 10.1021/jm00124a008 | HEp-2 | 1 |
| 2590277 | 10.1021/jm00124a008 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine