Compound Detail
CHEMBL503924
GALMIC TFA Enter ChEMBL ID:
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COC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@](C)(C(=O)NC2c3ccccc3-c3ccccc32)NC(=O)c2nc(oc2C)[C@](C)(C(=O)NCC2CCCCC2)NC(=O)c2nc1oc2C.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL503924 |
| Name | GALMIC TFA |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPWKIZXMIVSZEW-PAPVNNRQSA-N |
| Parent Compound | CHEMBL1187471 |
| Active Moiety | CHEMBL1187471 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
989.1
MW (Da)
4.19
ALogP
15
HBA
7
HBD
305.0
PSA (Ų)
0.07
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 1 CHEMBL4894 | Kd | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 1 | Kd | = | 34000.0 | nM | 4.47 | Binding affinity to human GalR1 | 19053761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053761 | 10.1021/jm801088x | Galanin receptor type 3 | 1 |
| 19053761 | 10.1021/jm801088x | Galanin receptor type 2 | 1 |
| 19053761 | 10.1021/jm801088x | Galanin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine