Compound Detail
CHEMBL4111229
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CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3s1)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL4111229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SESAPZROPYCLSJ-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
1.51
ALogP
10
HBA
1
HBD
104.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 10.0 | 9.91 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.1 | nM | 10.0 | DPP-IV Activity InhibitoryAssay: Gly-Pro-7-amido-4-methylcoumarin can be hydroly... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 0.15 | nM | 9.82 | DPP-IV Activity InhibitoryAssay: Gly-Pro-7-amido-4-methylcoumarin can be hydroly... | - |
Data from ChEMBL 36 via Core Engine