Molecule Details
| InChIKey | VSJKWCGYPAHWDS-FQEVSTJZSA-N |
|---|---|
| Compound Name | Camptothecin |
| Canonical SMILES | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 19 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04690 |
|---|---|
| Drug Name | Camptothecin |
| CAS Number | 7689-03-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Camptothecin is an alkaloid isolated from the stem wood of the Chinese tree, <i>Camptotheca acuminata</i>. This compound selectively inhibits the nuclear enzyme DNA topoisomerase, type I. Several semisynthetic analogs of camptothecin have demonstrated antitumor activity. |
Categories: Alkaloids Antineoplastic Agents Antineoplastic Agents, Phytogenic BCRP/ABCG2 Substrates Enzyme Inhibitors P-glycoprotein substrates Topoisomerase I Inhibitors Topoisomerase Inhibitors
Cross-references: BindingDB: 50008923 ChEBI: 27656 CHEMBL65 ChemSpider: 22775 C01897 PDB: EHD PharmGKB: PA153590860 PubChem:24360 PubChem:46507644 Wikipedia: Camptothecin ZINC: ZINC000000105309
Target Activities (19)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL |
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.3 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.3 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.3 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.3 | IC50 | ChEMBL |
| P09651 | HNRNPA1 | Homo sapiens | Human | PF11627 PF00076 | 7.1 | Kd | ChEMBL;BindingDB |
| P11387 | TOP1 | Homo sapiens | Human | PF14370 PF01028 PF02919 | 6.2 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL |