Compound Detail
CHEMBL536323
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Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5ccc(N(CCCl)CCCl)cc5)nn4C)cn3C)cn2C)cc1C(=O)NCCC(=N)N
Basic Information
| ChEMBL ID | CHEMBL536323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBHCXRVNDBMJNM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188429 |
| Active Moiety | CHEMBL1188429 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
820.7
MW (Da)
3.78
ALogP
12
HBA
7
HBD
231.2
PSA (Ų)
0.04
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 9.38 | 8.2733 | 0.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 0.42 | nM | 9.38 | Inhibition of growth in L1210 leukemia cells resistant to doxorubicin(DX). | 10893305 |
| L1210 | IC50 | = | 10.4 | nM | 7.98 | Inhibition of growth in L1210 leukemia cells resistant to Tallimustine. | 10893305 |
| L1210 | IC50 | = | 34.5 | nM | 7.46 | 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 |
| - | 10.1016/0960-894X(96)00204-1 | Mus musculus | 2 |
| - | 10.1016/0960-894X(96)00204-1 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine