Compound Detail
CHEMBL541565
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Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(=N)N
Basic Information
| ChEMBL ID | CHEMBL541565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRFYHNVACNRKFN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190767 |
| Active Moiety | CHEMBL1190767 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
578.5
MW (Da)
2.55
ALogP
8
HBA
5
HBD
155.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 3.9 | nM | 8.41 | 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