CHEMBL3932989
SMILES | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O |
InChIKey | QNMOGZWJPNDCNG-XFHAQAAWSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 9 |
Rotatable bonds | 19 |
Molecular weight (Da) | 779.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Human | Neurotensin | A | pKi | 4.55 | 4.75 | 4.96 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pKi | 4.04 | 4.16 | 4.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |