Compound Detail
CHEMBL146927
CPP-115 FREE BASE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL146927 |
| Name | CPP-115 FREE BASE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | CBSRETZPFOBWNG-UCORVYFPSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
0.96
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 2 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial CHEMBL2266 | Ki | 4.51 | 4.37 | 31000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 20.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 1.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 31000.0 | nM | 4.51 | Tested for inhibitory activity against gamma-aminobutyric acid aminotransferase ... | 14640537 |
| 4-aminobutyrate aminotransferase, mitochondrial | Ki | = | 59000.0 | nM | 4.23 | Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA ... | 33062178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640537 | 10.1021/jm034162s | 4-aminobutyrate aminotransferase, mitochondrial | 3 |
| 32182061 | 10.1021/acs.jmedchem.9b01877 | ADMET | 3 |
| 33062178 | 10.1021/acsmedchemlett.9b00672 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine