Compound Detail
CHEMBL3122087
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Basic Information
| ChEMBL ID | CHEMBL3122087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKEDIMSDTKPZNV-IFNWOZJISA-M |
| Parent Compound | CHEMBL8739 |
| Active Moiety | CHEMBL8739 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
5.66
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, heart CHEMBL3344 | Kd | 8.56 | 8.56 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, heart | Kd | = | 2.76 | nM | 8.56 | Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC... | 24581547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24581547 | 10.1016/j.bmc.2014.02.001 | Fatty acid-binding protein, heart | 1 |
Data from ChEMBL 36 via Core Engine