Compound Detail
CHEMBL19452
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Basic Information
| ChEMBL ID | CHEMBL19452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNBQRQQYDMDJAH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
136.2
MW (Da)
1.46
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 2.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 CHEMBL2096661 | Kd | 2.0 | 2.0 | 10000000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | Kd | = | 10000000.0 | nM | 2.0 | Dissociation constant for Leukocyte function associated antigen 1 (LFA-1) | 15214773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214773 | 10.1021/jm040031v | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | 1 |
| 11312920 | 10.1021/jm000503f | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | 1 |
Data from ChEMBL 36 via Core Engine