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 |
Endogenous/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 |
δ | OPRD | Human | Opioid | A | pKi | 5.02 | 5.02 | 5.02 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.04 | 5.04 | 5.04 | 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 |
δ | OPRD | Human | Opioid | A | pIC50 | 4.57 | 4.57 | 4.57 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 4.57 | 4.57 | 4.57 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |