GPCRdb

ZM-241385

Agent/drug
Bioactivity

ZM-241385

SMILES	Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12
InChIKey	PWTBZOIUWZOPFT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	3
Rotatable bonds	5
Molecular weight (Da)	337.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank GPCRdb
Structure pdb	3EML 3PWH 3VG9 3VGA 4EIY 6AQF 5NM4 6MH8 6JZH 6PS7 5UVI 5JTB 5IU4 5K2A 5K2C 5K2B 5K2D 5OLG 5VRA 5NLX 5NM2 8FYN 7T32 6LPK 8RQQ 6WQA 6LPJ 6LPL 7RM5 6S0L 6S0Q
Ligand site mutations	A_2A A_2B

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pKi	6.10	6.35	6.60	Guide to Pharmacology
A₁	AA1R	Rat	Adenosine	A	pKi	6.17	6.25	6.38	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	5.69	6.36	6.75	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKd	6.61	6.61	6.61	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKi	6.27	6.38	6.59	PDSP Ki database
A_2A	AA2AR	Human	Adenosine	A	pKi	8.80	8.95	9.10	Guide to Pharmacology
A_2A	AA2AR	Rat	Adenosine	A	pKi	6.28	8.56	9.05	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	7.19	8.90	10.00	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKd	7.99	9.15	9.69	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	8.85	8.93	9.10	PDSP Ki database
A_2A	AA2AR	Rat	Adenosine	A	pKi	5.69	7.61	9.52	PDSP Ki database
A_2B	AA2BR	Human	Adenosine	A	pKi	6.80	7.50	8.20	Guide to Pharmacology
A_2B	AA2BR	Human	Adenosine	A	pKi	7.18	7.31	7.71	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	7.30	7.46	7.51	PDSP Ki database
A₃	AA3R	Human	Adenosine	A	pKi	6.13	6.13	6.13	Guide to Pharmacology
A₃	AA3R	Human	Adenosine	A	pKi	6.06	6.13	6.52	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	5.00	6.05	6.57	PDSP Ki database

Showing 1 to 17 of 17 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2A	AA2AR	Human	Adenosine	A	pIC50	7.09	8.22	9.17	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pIC50	7.02	7.21	7.32	ChEMBL

Showing 1 to 2 of 2 entries

ZM-241385

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank GPCRdb
Structure pdb	3EML 3PWH 3VG9 3VGA 4EIY 6AQF 5NM4 6MH8 6JZH 6PS7 5UVI 5JTB 5IU4 5K2A 5K2C 5K2B 5K2D 5OLG 5VRA 5NLX 5NM2 8FYN 7T32 6LPK 8RQQ 6WQA 6LPJ 6LPL 7RM5 6S0L 6S0Q
Ligand site mutations	A_2A A_2B

Compound is not listed as a drug.