Compound Detail
CHEMBL1204337
NYLIDRIN HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1204337 |
| Name | NYLIDRIN HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLJHABUMMDMAFA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL114655 |
| Active Moiety | CHEMBL114655 |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
4
Known Names
Molecular Properties
299.4
MW (Da)
3.43
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 5 meas. best 5.6
Kd 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL2094251 | Kd | 6.21 | 6.21 | 616.6 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.6 | 5.26 | 2511.9 | 5 |
| Cavia porcellus CHEMBL369 | Kd | 5.37 | 5.37 | 4265.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 616.6 | nM | 6.21 | In vitro blocking activity against alpha adrenergic receptor, isolated from rabb... | 6115059 |
| Plasmodium falciparum | IC50 | = | 2511.89 | nM | 5.6 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
| Plasmodium falciparum | IC50 | = | 3162.28 | nM | 5.5 | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... | 19734910 |
| Cavia porcellus | Kd | = | 4265.8 | nM | 5.37 | spasmolytic activity in isolated guinea pig ileum preparation;- log KB; (Bacl2) | 6115059 |
| Plasmodium falciparum | IC50 | = | 6309.57 | nM | 5.2 | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 7943.28 | nM | 5.1 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 5 |
| 6115059 | 10.1021/jm00135a017 | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 6115059 | 10.1021/jm00135a017 | Adrenergic receptor alpha-1 | 1 |
| 6115059 | 10.1021/jm00135a017 | Cavia porcellus | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine