Compound Detail
CHEMBL2403111
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Basic Information
| ChEMBL ID | CHEMBL2403111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBKNEIOYPMCYKA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3039676 |
| Active Moiety | CHEMBL3039676 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
548.9
MW (Da)
4.91
ALogP
6
HBA
6
HBD
72.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 62.0 | nM | 7.21 | Induction of polyamine transport system-mediated compound uptake in human MALME-... | 23841465 |
| Unchecked | IC50 | = | 84.0 | nM | 7.08 | Induction of polyamine transport system-mediated compound uptake in CHO cells af... | 23841465 |
| Unchecked | IC50 | = | 83.0 | nM | 7.08 | Induction of polyamine transport system-mediated compound uptake in CHO cells af... | 23841465 |
| ADMET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human MALME-3 cells after 96 hrs by MTS assay in presence o... | 23841465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23841465 | 10.1021/jm400496a | ADMET | 5 |
| 23841465 | 10.1021/jm400496a | Unchecked | 4 |
| 23841465 | 10.1021/jm400496a | Malme-3M | 2 |
| 23841465 | 10.1021/jm400496a | CHO-MG | 2 |
Data from ChEMBL 36 via Core Engine