Compound Detail
CHEMBL110370
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL110370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANNNBEZJTNCXHY-NSCUHMNNSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.98
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.73
Kd 2 meas. best 6.14
Ki 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 6.14 | 6.03 | 730.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Transthyretin CHEMBL3194 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 730.0 | nM | 6.14 | Binding affinity to recombinant N-terminal hexa-histidine tagged TTR V30M mutant... | 37910439 |
| Transthyretin | Kd | = | 1200.0 | nM | 5.92 | Binding affinity to N-terminal hexa-histidine tagged TTR V30M mutant (unknown or... | 37910439 |
| Unchecked | IC50 | = | 1850.0 | nM | 5.73 | Antiplatelet activity in human platelet rich plasma assessed as inhibition of AD... | 34731765 |
| Transthyretin | Ki | = | 3200.0 | nM | 5.5 | Inhibition of recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unkn... | 37910439 |
| Mus musculus | IC50 | = | 63000.0 | nM | 4.2 | Inhibitory activity against nitric oxide production in LPS-activated mouse perit... | 10714491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37910439 | 10.1021/acs.jmedchem.3c01698 | Transthyretin | 7 |
| 10714491 | 10.1016/s0960-894x(99)00702-7 | Mus musculus | 1 |
| 24239390 | 10.1016/j.bmc.2013.10.038 | A2780 | 1 |
| 34731765 | 10.1016/j.ejmech.2021.113924 | Unchecked | 1 |
| 32652408 | 10.1016/j.ejmech.2020.112541 | Influenza A virus | 1 |
| 32652408 | 10.1016/j.ejmech.2020.112541 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine