Compound Detail
CHEMBL76840
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Basic Information
| ChEMBL ID | CHEMBL76840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFXLPCNTPZQBIC-HZPDHXFCSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
-0.33
ALogP
6
HBA
6
HBD
88.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Ki 1 meas. best 5.77
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 80.0 | nM | 7.1 | Growth uM after 96 hours | 10649978 |
| L1210 | IC50 | = | 600.0 | nM | 6.22 | Antitumor activity against mouse L1210 cells | 19534534 |
| L1210 | Ki | = | 1700.0 | nM | 5.77 | Ki was estimated by competitive inhibition of [3H]SPD transport by L1210 cells | 10649978 |
| L1210 | IC50 | = | 40000.0 | nM | 4.4 | Growth uM after 48 hours | 10649978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649978 | 10.1021/jm990375z | L1210 | 9 |
| 10649978 | 10.1021/jm990375z | Ornithine decarboxylase | 1 |
| 10649978 | 10.1021/jm990375z | S-adenosylmethionine decarboxylase proenzyme | 1 |
| 10649978 | 10.1021/jm990375z | Unchecked | 1 |
| 19534534 | 10.1021/jm900187v | L1210 | 1 |
Data from ChEMBL 36 via Core Engine