BCTC


SMILES CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl
InChIKey ROGUAPYLUCHQGK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 372.2

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
NK2 NK2R Rat Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
H2 HRH2 Rat Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
ETB EDNRB Rat Endothelin A pKi 5.0 5.0 5.0 PDSP Ki database
NK3 NK3R Rat Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
μ OPRM Rat Opioid A pKi 12.02 12.02 12.02 PDSP Ki database
CCK2 GASR Rat Cholecystokinin A pKi 5.0 5.0 5.0 PDSP Ki database
PAF PTAFR Rat Platelet-activating factor A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
OT OXYR Rat Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Rat Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
B2 BKRB2 Rat Bradykinin A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
NK1 NK1R Rat Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
TP TA2R Rat Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
ETA EDNRA Rat Endothelin A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database