CHEMBL5194363
SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O |
InChIKey | NDPYOUYRQGSPLE-KUVKOWMYSA-N |
Chemical properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 19 |
Rotatable bonds | 46 |
Molecular weight (Da) | 1316.8 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NPBW1 | NPBW1 | Human | Neuropeptide W/neuropeptide B | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
NPBW1 | NPBW1 | Human | Neuropeptide W/neuropeptide B | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |