GPCRdb

labetalol

Agent/drug
Bioactivity

labetalol

SMILES	CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(=N)O)c1
InChIKey	SGUAFYQXFOLMHL-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	5
Rotatable bonds	8
Molecular weight (Da)	328.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Ligand site mutations	β₁ 5-HT_1A

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	7.30	7.30	7.30	Guide to Pharmacology
α_1A	ADA1A	Rat	Adrenoceptors	A	pKi	7.64	7.64	7.64	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	8.19	8.19	8.19	Drug Central
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	6.49	6.49	6.49	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.10	6.35	6.60	Guide to Pharmacology
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.59	6.59	6.59	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	8.12	8.12	8.12	Drug Central
β₁	ADRB1	Human	Adrenoceptors	A	pKi	7.60	7.90	8.20	Guide to Pharmacology
β₁	ADRB1	Human	Adrenoceptors	A	pKi	8.23	8.23	8.23	ChEMBL
β₁	ADRB1	Rat	Adrenoceptors	A	pKi	7.92	7.92	7.92	PDSP Ki database
β₁	ADRB1	Human	Adrenoceptors	A	pKi	8.08	8.08	8.08	Drug Central
β₁	B0FL73	Guinea pig	Adrenoceptors	A	pKd	7.50	7.50	7.50	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.96	7.96	7.96	Guide to Pharmacology
β₂	ADRB2	Human	Adrenoceptors	A	pKi	7.96	7.96	7.96	ChEMBL
β₂	ADRB2	Rat	Adrenoceptors	A	pKi	7.17	7.17	7.17	PDSP Ki database
β₂	ADRB2	Human	Adrenoceptors	A	pKi	8.10	8.10	8.10	Drug Central
β₂	ADRB2	Guinea pig	Adrenoceptors	A	pKd	7.40	7.40	7.40	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.18	8.18	8.18	Drug Central
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.65	6.65	6.65	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	5.00	5.35	5.70	PDSP Ki database

Showing 1 to 20 of 23 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pIC50	7.50	7.70	7.90	Guide to Pharmacology
α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	8.14	8.14	8.14	Drug Central
α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	7.24	7.24	7.24	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pIC50	6.23	6.23	6.23	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pIC50	6.28	6.28	6.28	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pIC50	8.00	8.00	8.00	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pIC50	7.80	7.80	7.80	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	8.19	8.19	8.19	Drug Central
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	6.41	6.41	6.41	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	5.52	5.52	5.52	ChEMBL

Showing 1 to 10 of 10 entries

labetalol

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 9

Phase II 27

Phase III 9

Phase IV 21

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Ligand site mutations	β₁ 5-HT_1A

Sankey plot

Drug Information

Search:

Target					Disease

Gene	Protein	Receptor family	Ligand type	Class	Name	Phase	ICD11	ATC	Association score

ADA1A	α_1A-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Diseases of the circulatory system, unspecified	4	BE2Z	C07A, C07B, C07C	0.596
ADA1A	α_1A-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Essential hypertension, unspecified	4	BA00.Z	C07A, C07B, C07C	0.444
ADA1A	α_1A-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Haemorrhage, not elsewhere classified	2	MG27	C07A, C07B, C07C	0.557
ADA1A	α_1A-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Intracerebral haemorrhage, site unspecified	2	8B00.Z	C07A, C07B, C07C	0.105
ADA1A	α_1A-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Pain, unspecified	1	MG3Z	C07A, C07B, C07C	0.601
ADA1A	α_1A-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Pre-eclampsia, unspecified	3	JA24.Z	C07A, C07B, C07C	0.566
ADA1A	α_1A-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Stroke not known if ischaemic or haemorrhagic	2	8B20	C07A, C07B, C07C	0.363
ADA1B	α_1B-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Diseases of the circulatory system, unspecified	4	BE2Z	C07A, C07B, C07C	0.591
ADA1B	α_1B-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Essential hypertension, unspecified	4	BA00.Z	C07A, C07B, C07C	0.439
ADA1B	α_1B-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Haemorrhage, not elsewhere classified	2	MG27	C07A, C07B, C07C	0.557
ADA1B	α_1B-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Intracerebral haemorrhage, site unspecified	2	8B00.Z	C07A, C07B, C07C	0.105
ADA1B	α_1B-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Pain, unspecified	1	MG3Z	C07A, C07B, C07C	0.601
ADA1B	α_1B-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Pre-eclampsia, unspecified	3	JA24.Z	C07A, C07B, C07C	0.566
ADA1B	α_1B-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Stroke not known if ischaemic or haemorrhagic	2	8B20	C07A, C07B, C07C	0.363
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Diseases of the circulatory system, unspecified	4	BE2Z	C07A, C07B, C07C	0.634
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Essential hypertension, unspecified	4	BA00.Z	C07A, C07B, C07C	0.446
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Haemorrhage, not elsewhere classified	2	MG27	C07A, C07B, C07C	0.557
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Intracerebral haemorrhage, site unspecified	2	8B00.Z	C07A, C07B, C07C	0.105
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Pain, unspecified	1	MG3Z	C07A, C07B, C07C	0.601
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	A	Pre-eclampsia, unspecified	3	JA24.Z	C07A, C07B, C07C	0.567

Showing 1 to 20 of 63 entries

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labetalol

labetalol

Chemical Properties

Database connections

Bioactivities

labetalol

Drug properties

Distribution across phases (no. indications)

Database connections

Sankey plot

Drug Information