Compound Detail
CHEMBL14255
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Basic Information
| ChEMBL ID | CHEMBL14255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAHSLFRXUDDOIA-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
5.37
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.35 | 5.35 | 4450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 1.0 | nM | 9.0 | Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 ... | 10737744 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human 5HT2c receptor expressed in CHO-K1 cells assessed as inhibit... | 24900481 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 7.943 | nM | 8.1 | Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK29... | 10737744 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 199.53 | nM | 6.7 | Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 ... | 10737744 |
| Cytochrome P450 1A2 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of heterologously expressed human cytochrome P450 1A2. | 10737744 |
| Plasmodium falciparum | IC50 | = | 4450.0 | nM | 5.35 | Antiplasmodial activity against Plasmodium falciparum 3D7A assessed as inhibitio... | 24900481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900481 | 10.1021/ml300008j | Plasmodium falciparum | 3 |
| 10737744 | 10.1021/jm990388c | 5-hydroxytryptamine receptor 2A | 1 |
| 10737744 | 10.1021/jm990388c | 5-hydroxytryptamine receptor 2B | 1 |
| 10737744 | 10.1021/jm990388c | 5-hydroxytryptamine receptor 2C | 1 |
| 10737744 | 10.1021/jm990388c | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 10737744 | 10.1021/jm990388c | Serotonin receptor (2b and 2c) | 1 |
| 10737744 | 10.1021/jm990388c | Cytochrome P450 1A2 | 1 |
| 10737744 | 10.1021/jm990388c | Rattus norvegicus | 1 |
| 24900481 | 10.1021/ml300008j | Unchecked | 1 |
| 24900481 | 10.1021/ml300008j | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine