levocabastine
SMILES | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F |
InChIKey | ZCGOMHNNNFPNMX-KYTRFIICSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 420.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
NTS2 | NTR2 | Human | Neurotensin | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
NTS2 | NTR2 | Human | Neurotensin | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
NTS2 | NTR2 | Rat | Neurotensin | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
NTS2 | NTR2 | Rat | Neurotensin | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Rat | Neurotensin | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |
NTS2 | NTR2 | Rat | Neurotensin | A | pIC50 | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
NTS2 | Q920Q5 | Mouse | Neurotensin | A | pIC50 | 8.4 | 8.55 | 8.7 | Guide to Pharmacology |