CHEMBL2048820


SMILES Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1
InChIKey MTDYDDJVCIHZKH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 495.2

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.18 6.18 6.18 ChEMBL
H2 HRH2 Human Histamine A pKi 5.48 5.48 5.48 ChEMBL
ghrelin GHSR Human Ghrelin A pKi 8.15 8.21 8.26 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.74 6.74 6.74 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.87 5.87 5.87 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.82 5.82 5.82 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.57 6.6 6.62 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.07 6.07 6.07 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.32 6.32 6.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ghrelin GHSR Human Ghrelin A pIC50 8.34 8.34 8.34 ChEMBL