SR 142801


SMILES CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
InChIKey DZOJBGLFWINFBF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 605.3

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
NK1 NK1R Human Tachykinin A pKi 5.49 6.23 7.22 PDSP Ki database
NK2 NK2R Human Tachykinin A pKi 5.7 6.78 7.69 PDSP Ki database
NK3 NK3R Human Tachykinin A pKi 7.49 8.65 9.68 PDSP Ki database
NK2 NK2R Rat Tachykinin A pKi 6.61 6.8 7.0 PDSP Ki database
NK3 NK3R Rat Tachykinin A pKi 6.39 7.11 7.82 PDSP Ki database
NK2 NK2R Guinea pig Tachykinin A pKi 6.46 6.8 7.14 PDSP Ki database
NK3 NK3R Guinea pig Tachykinin A pKi 7.59 8.78 9.96 PDSP Ki database
NK1 NK1R Rat Tachykinin A pKi 5.7 5.7 5.7 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database