CHEMBL500173
SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O |
InChIKey | JUKCEHHNUBUMOG-VDYFTJCESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 10 |
Rotatable bonds | 22 |
Molecular weight (Da) | 796.5 |
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 | 6.2 | 6.2 | 6.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 6.11 | 6.11 | 6.11 | ChEMBL |