Compound Detail
CHEMBL4783305
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Basic Information
| ChEMBL ID | CHEMBL4783305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRDDGQYDAXHJGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.1
MW (Da)
6.82
ALogP
6
HBA
2
HBD
60.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 200.0 | nM | 6.7 | Binding affinity to 6-FAM-5'CAGCGCTCGG(20T)CCGAGCGCTG-3'-dabcyl (unknown origin)... | 32738410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32738410 | 10.1016/j.ejmech.2020.112658 | DNA excision repair protein ERCC-1/DNA repair endonuclease XPF | 4 |
| 32738410 | 10.1016/j.ejmech.2020.112658 | HCT-116 | 2 |
| 32738410 | 10.1016/j.ejmech.2020.112658 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine