GPCRdb

JTC-801

Agent/drug
Bioactivity

JTC-801

SMILES	CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
InChIKey	VTGBZWHPJFMTKS-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	411.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.45	5.45	5.45	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	5.68	5.68	5.68	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	5.50	5.50	5.50	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pKi	5.20	5.20	5.20	ChEMBL
δ	OPRD	Human	Opioid	A	pKi	5.06	5.06	5.06	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	5.98	5.98	5.98	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	6.30	6.76	6.99	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	5.56	5.56	5.56	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.26	6.26	6.26	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	6.64	6.64	6.64	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.48	6.48	6.48	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	5.61	5.61	5.61	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	5.63	5.63	5.63	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	5.71	5.71	5.71	ChEMBL
NOP	OPRX	Human	Opioid	A	pKi	8.10	8.10	8.10	Guide to Pharmacology
NOP	OPRX	Human	Opioid	A	pKi	8.09	8.09	8.09	ChEMBL

Showing 1 to 16 of 16 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	5.41	5.41	5.41	ChEMBL
κ	OPRK	Human	Opioid	A	pIC50	5.12	5.12	5.12	ChEMBL
μ	OPRM	Human	Opioid	A	pIC50	5.82	5.82	5.82	ChEMBL
ADGRF1	AGRF1	Human	ADGRF	B2	pIC50	5.55	5.55	5.55	ChEMBL
apelin	APJ	Human	Apelin	A	pIC50	5.47	5.47	5.47	ChEMBL
AT₁	AGTR1	Human	Angiotensin	A	pIC50	5.36	5.36	5.36	ChEMBL
CX₃CR1	CX3C1	Human	Chemokine	A	pIC50	5.58	5.58	5.58	ChEMBL
FFA4	FFAR4	Human	Free fatty acid	A	pIC50	4.99	4.99	4.99	ChEMBL
FPR1	FPR1	Human	Formylpeptide	A	pIC50	5.51	5.51	5.51	ChEMBL
FPR3	FPR3	Human	Formylpeptide	A	pIC50	5.46	5.46	5.46	ChEMBL
GLP-1	GLP1R	Human	Glucagon	B1	pIC50	5.41	5.41	5.41	ChEMBL
GPR119	GP119	Human	GPR18, GPR55 and GPR119	A	pIC50	5.40	5.40	5.40	ChEMBL
GPR183	GP183	Human	A orphans	A	pIC50	5.73	5.73	5.73	ChEMBL
GPR35	GPR35	Human	A orphans	A	pIC50	5.35	5.35	5.35	ChEMBL
GPR65	PSYR	Human	A orphans	A	pIC50	5.46	5.46	5.46	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pIC50	5.40	5.40	5.40	ChEMBL
NOP	OPRX	Human	Opioid	A	pIC50	7.52	7.52	7.52	ChEMBL
S1P₁	S1PR1	Human	Lysophospholipid (S1P)	A	pIC50	5.50	5.50	5.50	ChEMBL

Showing 1 to 18 of 18 entries

JTC-801

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Compound is not listed as a drug.