isothiourea-1a


SMILES C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12
InChIKey ZEZPDHKACVMMCD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 378.2

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
EP3 PE2R3 Mouse Prostanoid A pKi 7.68 7.68 7.68 Guide to Pharmacology
EP4 PE2R4 Mouse Prostanoid A pKi 8.57 8.57 8.57 Guide to Pharmacology
EP4 PE2R4 Human Prostanoid A pKi 8.15 8.15 8.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP3 PE2R3 Mouse Prostanoid A pIC50 6.8 6.8 6.8 Guide to Pharmacology