Compound Detail
CHEMBL33086
t-4-AMINOCROTONIC ACID (TACA) Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL33086 |
| Name | t-4-AMINOCROTONIC ACID (TACA) |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMKJUUQOYOHLTF-OWOJBTEDSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
101.1
MW (Da)
-0.41
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.4
Kd 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-2 CHEMBL2375 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 6.4 | 6.3267 | 400.0 | 3 |
| GABA-C receptor CHEMBL2109242 | Kd | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-2 | EC50 | = | 400.0 | nM | 6.4 | Partial agonist activity against homomeric rho-2 subunit GABA-C receptor express... | 10780899 |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 400.0 | nM | 6.4 | Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes asses... | 18528996 |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 440.0 | nM | 6.36 | Partial agonist activity against human rho-1 subunit GABA-C receptor expressed i... | 10780899 |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 600.0 | nM | 6.22 | Partial agonist activity against homomeric rho-1 subunit GABA-C receptor express... | 10780899 |
| GABA-C receptor | Kd | = | 600.0 | nM | 6.22 | Agonist activity against Gamma-aminobutyric acid type C (GABA-C) receptor derive... | 10780899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780899 | 10.1021/jm9904349 | Gamma-aminobutyric acid receptor subunit rho-1 | 2 |
| 3761305 | 10.1021/jm00160a007 | ADMET | 2 |
| 10780899 | 10.1021/jm9904349 | GABA-C receptor | 1 |
| 10780899 | 10.1021/jm9904349 | Gamma-aminobutyric acid receptor subunit rho-2 | 1 |
| 18528996 | 10.1021/jm7015842 | Gamma-aminobutyric acid receptor subunit rho-1 | 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 |
| 28838689 | 10.1016/j.bmcl.2017.07.050 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine