compound 5b [PMID: 17358052]


SMILES CCC1(OC(=CC1=O)C(=O)O)c1ccccc1
InChIKey SUHZZFNDVLWPTL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 232.1

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
D1 DRD1 Human Dopamine A pKi 6.5 6.83 7.9 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 6.5 6.5 6.5 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.949999999999999 6.95 6.95 Guide to Pharmacology
A2B AA2BR Rat Adenosine A pKi 7.45 7.45 7.45 ChEMBL
D1 DRD1 Rat Dopamine A pKi 8.52 8.71 8.91 ChEMBL
D1 DRD1 Human Dopamine A pKd 5.74 6.64 7.55 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.4 7.4 7.4 ChEMBL
D2 DRD2 Rat Dopamine A pKd 4.89 5.52 5.89 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.88 7.88 7.88 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.33 5.67 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.09 6.09 6.09 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.74 6.64 7.55 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.1 6.96 7.82 PDSP Ki database
D2 DRD2 Dog Dopamine A pKi 8.55 8.55 8.55 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.22 8.22 8.22 Drug Central
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D5 DRD5 Human Dopamine A pKi 8.16 8.16 8.16 Drug Central
D2 DRD2 Bovine Dopamine A pKi 8.21 8.21 8.21 Drug Central
A2B AA2BR Rat Adenosine A pKi 8.13 8.13 8.13 Drug Central
D1 DRD1 Rat Dopamine A pKi 8.07 8.07 8.07 Drug Central
D2 DRD2 Rat Dopamine A pKd 8.23 8.23 8.23 Drug Central
D1 DRD1 Human Dopamine A pKd 8.12 8.12 8.12 Drug Central
D2 DRD2 Bovine Dopamine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pEC50 7.24 7.24 7.24 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.2 5.2 5.2 ChEMBL
D1 DRD1 Human Dopamine A pEC50 7.5 8.03 8.55 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 5.57 5.57 5.57 ChEMBL
TA1 TAAR1 Human Trace amine A pIC50 5.09 5.09 5.09 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL
D2 DRD2 Bovine Dopamine A pIC50 5.8 5.8 5.8 ChEMBL