Compound Detail
CHEMBL470077
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CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCCN)C(=O)[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL470077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUNWQHFEQSGXHC-QMUTUGEISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
1.90
ALogP
8
HBA
4
HBD
138.9
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 10700.0 | nM | 4.97 | Cytotoxicity against CHO cells after 48 hrs by MTT assay | 18558490 |
| L1210 | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against mouse L1210 ATCC CCL 219 cells after 48 hrs by MTT assay | 18558490 |
| CHO | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against polyamine transport-deficient mutant CHO cells after 48 hrs... | 18558490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18558490 | 10.1016/j.bmc.2008.05.069 | CHO | 2 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | L1210 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | NON-PROTEIN TARGET | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | DU-145 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | MCF7 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | K562 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | U-251 | 1 |
Data from ChEMBL 36 via Core Engine