CHEMBL210514


SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1
InChIKey IGTBNUVMBDYPQG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 565.3

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
GnRH1 GNRHR Rat Gonadotrophin-releasing hormone A pKi 9.4 9.4 9.4 ChEMBL
PAF PTAFR Human Platelet-activating factor A pKi 5.97 5.97 5.97 ChEMBL
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pKi 9.4 9.4 9.4 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 5.43 5.43 5.43 ChEMBL
H2 HRH2 Human Histamine A pKi 5.91 5.91 5.91 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.43 5.43 5.43 ChEMBL
NK1 NK1R Human Tachykinin A pKi 5.9 5.9 5.9 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.6 5.6 5.6 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.79 5.79 5.79 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.02 6.02 6.02 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.38 5.38 5.38 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.93 5.93 5.93 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.23 6.23 6.23 ChEMBL
A3 AA3R Human Adenosine A pKi 6.2 6.2 6.2 ChEMBL
κ OPRK Human Opioid A pKi 5.71 5.71 5.71 ChEMBL
μ OPRM Human Opioid A pKi 5.85 5.85 5.85 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GnRH1 GNRHR Rat Gonadotrophin-releasing hormone A pIC50 8.06 8.06 8.06 ChEMBL
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pIC50 8.48 8.48 8.48 ChEMBL