CHEMBL505906
SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O |
InChIKey | CAKYHKUSXYIHGR-CCWZFZQHSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 11 |
Rotatable bonds | 23 |
Molecular weight (Da) | 802.5 |
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 |
NTS1 | NTR1 | Human | Neurotensin | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 7.97 | 7.97 | 7.97 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 8.21 | 8.21 | 8.21 | ChEMBL |