CHEMBL435199
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](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O |
InChIKey | KDAYPBODTWHIKT-LWKXKDDLSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 10 |
Rotatable bonds | 22 |
Molecular weight (Da) | 825.5 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Human | Neurotensin | A | pIC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 6.88 | 6.88 | 6.88 | ChEMBL |