SR48527
SMILES | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC |
InChIKey | PXNTUYAGLGTUKX-MHZLTWQESA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 548.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Rat | Neurotensin | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
NTS1 | NTR1 | Rat | Neurotensin | A | pKi | 7.1 | 7.3 | 7.5 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Rat | Neurotensin | A | pEC50 | 6.66 | 6.66 | 6.66 | ChEMBL |