CIGLITAZONE


SMILES CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
InChIKey YZFWTZACSRHJQD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 333.1

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 Human Tachykinin A pKi 5.38 5.38 5.38 ChEMBL
MC5 MC5R Human Melanocortin A pKi 4.57 4.57 4.57 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.22 5.22 5.22 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 4.87 4.87 4.87 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.64 5.64 5.64 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.5 5.5 5.5 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.21 5.21 5.21 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.12 5.12 5.12 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.04 5.04 5.04 ChEMBL
δ OPRD Human Opioid A pKi 5.02 5.02 5.02 ChEMBL
A3 AA3R Human Adenosine A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 4.9 4.9 4.9 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 4.54 4.54 4.54 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 4.88 4.88 4.88 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 4.75 4.75 4.75 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 4.79 4.79 4.79 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 4.83 4.83 4.83 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 4.78 4.78 4.78 ChEMBL
D1 DRD1 Human Dopamine A pIC50 4.7 4.7 4.7 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 4.68 4.68 4.68 ChEMBL
D3 DRD3 Human Dopamine A pIC50 4.57 4.57 4.57 ChEMBL
δ OPRD Human Opioid A pIC50 4.57 4.57 4.57 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.52 5.52 5.52 ChEMBL