Compound Detail
CHEMBL151001
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Basic Information
| ChEMBL ID | CHEMBL151001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWNCZAHKNLRNOR-KVJLFNRQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
-0.47
ALogP
7
HBA
7
HBD
198.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-adenosylmethionine decarboxylase proenzyme CHEMBL3808 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Diamine oxidase [copper-containing] CHEMBL4648 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| T-24 CHEMBL614774 | IC50 | 4.3 | 4.3 | 49800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-adenosylmethionine decarboxylase proenzyme | IC50 | = | 120.0 | nM | 6.92 | Inhibitory concentration of compound against S-Adenosyl-methionine decarboxylase... | 8421290 |
| Diamine oxidase [copper-containing] | IC50 | = | 760.0 | nM | 6.12 | In vitro inhibition of Diamine oxidase (DAO) from rat small intestine. | 8421290 |
| T-24 | IC50 | = | 49800.0 | nM | 4.3 | Antiproliferative activity against human T24 bladder carcinoma cells | 8421290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8421290 | 10.1021/jm00053a007 | S-adenosylmethionine decarboxylase proenzyme | 1 |
| 8421290 | 10.1021/jm00053a007 | Diamine oxidase [copper-containing] | 1 |
| 8421290 | 10.1021/jm00053a007 | T-24 | 1 |
| 8421290 | 10.1021/jm00053a007 | Ornithine decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine