Compound Detail
CHEMBL5945002
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O=C(O)c1ccccc1Nc1cc(Cl)c(OCCOCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5945002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMJKDGSPMZTYNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
818.7
MW (Da)
7.81
ALogP
11
HBA
6
HBD
177.1
PSA (Ų)
0.04
QED
4
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 820.0 | nM | 6.09 | Determination of Binding Constants of HITS to TTR: Dissociation Constants (Kd) a... | - |
Data from ChEMBL 36 via Core Engine