Molecule Details
| InChIKey | AKNNEGZIBPJZJG-MSOLQXFVSA-N |
|---|---|
| Compound Name | Noscapine |
| Canonical SMILES | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.25 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06174 |
|---|---|
| Drug Name | Noscapine |
| CAS Number | 128-62-1 |
| Groups | approved |
| ATC Codes | R05DA07 |
| Description | nan |
Categories: Alkaloids Antitussive Agents Central Nervous System Agents Cough and Cold Preparations Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Isoquinolines Opiate Alkaloids Opium Alkaloids and Derivatives Respiratory System Agents
Cross-references: BindingDB: 50424716 ChEBI: 73237 CHEMBL364713 ChemSpider: 242139 C09592 PDB: 08N RxCUI: 7533 Wikipedia: Noscapine ZINC: ZINC000019418974
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL |
| A6NNZ2 | TUBB8B | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 6.2 | Kd | ChEMBL |