Compound Detail
CHEMBL1744300
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
O=C(CCCN1CCN(CCCc2ccccc2)CC1)NC1c2ccccc2CSc2ccccc21.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1744300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HINBQOKQDFZDLZ-SPIKMXEPSA-N |
| Parent Compound | CHEMBL367851 |
| Active Moiety | CHEMBL367851 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
499.7
MW (Da)
5.53
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 12.3 | nM | 7.91 | Inhibition of calcium activation was assessed against calcium-induced constricti... | 2002473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2002473 | 10.1021/jm00107a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine