Compound Detail
CHEMBL6035989
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CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL6035989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWDOMNUZQXPHIM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
3.11
ALogP
5
HBA
2
HBD
115.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-4/beta-7 CHEMBL2095184 | IC50 | 9.21 | 9.2 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-4/beta-7 | IC50 | = | 0.61 | nM | 9.21 | ELISA assay : The studies began by screening for the optimal protein concentrati... | - |
| Integrin alpha-4/beta-7 | IC50 | = | 0.64 | nM | 9.19 | ELISA assay : The studies began by screening for the optimal protein concentrati... | - |
Data from ChEMBL 36 via Core Engine