compound 2 [PMID: 24793972]
compound 2 [PMID: 24793972]
SMILES | CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](CC)C)N |
InChIKey | OBGKRTYDTRUMGO-RFNYNIMXSA-N |
Chemical Properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 455.3 |
Database connections
Structure pdb | 7EJX |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
compound 2 [PMID: 24793972]
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No
Database connections
Structure pdb | 7EJX |