Compound Detail
CHEMBL1695
TIAGABINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1695 |
| Name | TIAGABINE HYDROCHLORIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YUKARLAABCGMCN-PKLMIRHRSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1027 |
| Active Moiety | CHEMBL1027 |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
13
Known Names
3
Indications
1
Mechanisms
Molecular Properties
375.6
MW (Da)
5.04
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1997 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| GABA transporter 1 inhibitor | INHIBITOR | Sodium- and chloride-dependent GABA transporter 1 | ✓ | ✓ |
Indications
Seizures Anxiety Anxiety Disorders
Activity Summary
IC50 5 meas. best 7.31
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL1903 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL4054 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL4054 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.17 | 7.17 | 67.0 | 2 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 49.0 | nM | 7.31 | Inhibition of human GAT1 transfected in CHO cells assessed as [3H]GABA uptake af... | 23886812 |
| Unchecked | IC50 | = | 67.0 | nM | 7.17 | In vitro inhibition of [3H]GABA uptake in rat synaptosomes | 8510100 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 67.0 | nM | 7.17 | In vitro inhibition of [3H]GABA uptake in rat synaptosomes | 10543872 |
| Unchecked | IC50 | = | 67.0 | nM | 7.17 | Inhibition of GAT-mediated [3H]-GABA uptake in rat forebrain synaptosomes preinc... | 35306287 |
| Sodium- and chloride-dependent GABA transporter 1 | Ki | = | 67.0 | nM | 7.17 | In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GAB... | 10479278 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells | 17517506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23886812 | 10.1016/j.bmc.2013.06.063 | Mus musculus | 6 |
| 10543872 | 10.1021/jm980492e | GABA transporter | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 11405652 | 10.1021/jm990513k | GABA transporter | 2 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| 8510100 | 10.1021/jm00064a005 | Unchecked | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| 23886812 | 10.1016/j.bmc.2013.06.063 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 17517506 | 10.1016/j.bmcl.2007.04.010 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 10479278 | 10.1021/jm981027k | Unchecked | 1 |
| 10479278 | 10.1021/jm981027k | GABA transporter | 1 |
| 10479278 | 10.1021/jm981027k | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 10543872 | 10.1021/jm980492e | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 8510100 | 10.1021/jm00064a005 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine