Compound Detail
CHEMBL265325
1-Aminocyclopropane carboxylic acid Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL265325 |
| Name | 1-Aminocyclopropane carboxylic acid |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
4
PK Parameters
11
Publications
0
Known Names
Molecular Properties
101.1
MW (Da)
-0.44
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.85
IC50 1 meas. best 7.4
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.8 | 6.8 | 158.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.4 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 1.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.1 | mL.min-1.kg-1 | Macaca |
| CL | 3.2 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 40.0 | nM | 7.4 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | EC50 | = | 140.0 | nM | 6.85 | Compound was evaluated for in vitro inhibition of [3H]-MK-801 at NMDA receptor. | 7990104 |
| Glutamate NMDA receptor | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]glycine from strychnine-insensitive glycine recognition site... | 19642674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15920768 | 10.1002/jps.20373 | ADMET | 8 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 1 |
| 19642674 | 10.1021/jm900363q | Glutamate NMDA receptor | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine