CHEMBL499673
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@@](C)(N)CCCCN)C(C)(C)C)C(=O)O |
InChIKey | JIPYFXRTYYKYQC-IFSYWJDZSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 11 |
Rotatable bonds | 23 |
Molecular weight (Da) | 816.5 |
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 | 7.98 | 7.99 | 8.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 7.86 | 7.86 | 7.86 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 8.19 | 8.19 | 8.19 | ChEMBL |