Compound Detail
CHEMBL5861578
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CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCc1c-2[nH]c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N(C)C)cc12)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5861578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONQDRMAAHQRIAT-ZTJXFJJRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
780.0
MW (Da)
6.79
ALogP
6
HBA
3
HBD
121.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.01 | nM | 11.0 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine