Compound Detail
CHEMBL1607
TOPOTECAN HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl
11
Targets
35
Activities
2
Assay Types
1
PK Parameters
20
Publications
16
Known Names
20
Indications
1
Mechanisms
Molecular Properties
421.4
MW (Da)
1.85
ALogP
8
HBA
2
HBD
104.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1996 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA topoisomerase I inhibitor | INHIBITOR | DNA topoisomerase 1 | ✓ | ✓ |
Indications
Carcinoma Carcinoma, Ovarian Epithelial Carcinoma, Small Cell Ovarian Neoplasms Ovarian Neoplasms Small Cell Lung Carcinoma Uterine Cervical Neoplasms Uterine Cervical Neoplasms Uterine Cervical Neoplasms Carcinoma, Non-Small-Cell Lung Carcinoma, Squamous Cell Fallopian Tube Neoplasms Ganglioneuroblastoma Lung Neoplasms Neuroblastoma Peritoneal Neoplasms Rhabdomyosarcoma Sarcoma Sarcoma Breast Neoplasms
Drug Warnings
Black Box Warning
hematological toxicity
Black Box Warning
immune system toxicity
Activity Summary
IC50 30 meas. best 8.84
EC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.84 | 7.0037 | 1.4 | 19 |
| BJ CHEMBL614358 | EC50 | 7.7 | 6.515 | 19.8 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.92 | 6.0967 | 119.0 | 3 |
| Jurkat CHEMBL397 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.33 | 6.33 | 473.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.26 | 6.26 | 549.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| KB CHEMBL398 | IC50 | 5.64 | 5.64 | 2282.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.38 | 5.38 | 4208.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 2.25 | /hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24980118 | 10.1016/j.ejmech.2014.06.050 | Caco-2 | 19 |
| 24980118 | 10.1016/j.ejmech.2014.06.050 | MDA-MB-231 | 4 |
| 24980118 | 10.1016/j.ejmech.2014.06.050 | A-375 | 4 |
| 24980118 | 10.1016/j.ejmech.2014.06.050 | ADMET | 4 |
| 24980118 | 10.1016/j.ejmech.2014.06.050 | HeLa | 4 |
| 11708920 | 10.1021/jm010893l | Rattus norvegicus | 3 |
| 11708920 | 10.1021/jm010893l | Canis familiaris | 3 |
| 11708920 | 10.1021/jm010893l | Homo sapiens | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 24980118 | 10.1016/j.ejmech.2014.06.050 | Small intestine | 2 |
| 25481395 | 10.1016/j.bmc.2014.11.020 | NON-PROTEIN TARGET | 2 |
| 25481395 | 10.1016/j.bmc.2014.11.020 | KB | 1 |
| 25481395 | 10.1016/j.bmc.2014.11.020 | HepG2 | 1 |
| 7707314 | 10.1021/jm00007a008 | DNA topoisomerase 1 | 1 |
| 34175539 | 10.1016/j.ejmech.2021.113639 | Unchecked | 1 |
| 15225719 | 10.1016/j.bmcl.2004.05.032 | Bel-7402 | 1 |
| 15225719 | 10.1016/j.bmcl.2004.05.032 | HCT-8 | 1 |
| 15225719 | 10.1016/j.bmcl.2004.05.032 | KB | 1 |
| 7707314 | 10.1021/jm00007a008 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine