GproteinDb

istradefylline

Agent/drug
Bioactivity

istradefylline

SMILES	CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O
InChIKey	IQVRBWUUXZMOPW-PKNBQFBNSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	384.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids Drug Central DrugBank PubChem GPCRdb
Structure pdb	8GNG
Ligand site mutations	A₁ A_2A

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pKi	6.08	6.08	6.08	Guide to Pharmacology
A₁	AA1R	Rat	Adenosine	A	pKi	6.64	6.64	6.64	Guide to Pharmacology
A₁	AA1R	Rat	Adenosine	A	pKi	6.24	6.62	6.82	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	5.52	5.77	6.08	ChEMBL
A₁	AA1R	Rat	Adenosine	A	pKi	8.17	8.17	8.17	Drug Central
A₁	AA1R	Human	Adenosine	A	pKi	8.22	8.22	8.22	Drug Central
A_2A	AA2AR	Human	Adenosine	A	pKi	7.04	7.48	7.92	Guide to Pharmacology
A_2A	AA2AR	Rat	Adenosine	A	pKi	8.35	8.50	8.66	Guide to Pharmacology
A_2A	AA2AR	Rat	Adenosine	A	pKi	7.89	8.41	8.70	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	6.70	7.56	8.66	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKd	5.90	5.90	5.90	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	8.06	8.06	8.06	Drug Central
A_2A	AA2AR	Rat	Adenosine	A	pKi	8.06	8.06	8.06	Drug Central
A_2B	AA2BR	Human	Adenosine	A	pKi	5.00	5.00	5.00	Guide to Pharmacology
A_2B	AA2BR	Human	Adenosine	A	pKi	5.75	5.75	5.75	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	8.24	8.24	8.24	Drug Central
A₃	AA3R	Human	Adenosine	A	pKi	5.35	5.35	5.35	Guide to Pharmacology
A₃	AA3R	Human	Adenosine	A	pKi	5.35	5.35	5.35	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	8.27	8.27	8.27	Drug Central

Showing 1 to 19 of 19 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2A	AA2AR	Rat	Adenosine	A	pIC50	6.64	6.64	6.64	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pIC50	5.28	5.28	5.28	ChEMBL

Showing 1 to 2 of 2 entries

istradefylline

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 0

Phase II 1

Phase III 0

Approved Yes

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids Drug Central DrugBank PubChem GPCRdb
Structure pdb	8GNG
Ligand site mutations	A₁ A_2A

Sankey plot

Drug Information

Search:

Target					Disease				Phase

Gene	Protein	Receptor family	Ligand type	Class	Indication name	ICD11	ATC	Association score	Phase	Approved

AA2AR	A_2A receptor	Adenosine receptors	Nucleotide receptors	Class A	Amyotrophic lateral sclerosis	8B60.0	N04C	0.046	2	Yes
AA2AR	A_2A receptor	Adenosine receptors	Nucleotide receptors	Class A	Parkinson disease, unspecified	8A00.0Z	N04C	0.573	4	Yes

Showing 1 to 2 of 2 entries