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Compound Detail

CHEMBL1200323

LABETALOL HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200323
Name LABETALOL HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key WQVZLXWQESQGIF-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL429
Active Moiety CHEMBL429

Known Names

AH 5158A AH-5158A AH-5158A HYDROCHLORIDE Ibidomide hydrochloride Labetalol hcl Labetalol hydrochloride Labetalol hydrochloride component of normozide Labetalol hydrochloride in dextrose Labetalol hydrochloride in sodium chloride Labetalol hydrocloride Labrocol Normodyne +5 more
4
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
17
Known Names
3
Indications
1
Mechanisms

Molecular Properties

328.4
MW (Da)
2.14
ALogP
4
HBA
4
HBD
95.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1984
Availability Prescription
Chirality Racemic

Routes of Administration

Oral Parenteral
USAN Stem -alol
USAN Year 1976

Extended Properties

Molecular Formula C19H25ClN2O3
MW 364.87
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.21

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Adrenergic receptor antagonist ANTAGONIST Adrenergic receptor ✓ ✓

Indications

Hypertension Cerebral Hemorrhage Pre-Eclampsia

Activity Summary

IC50 6 meas. best 5.0
Kd 6 meas. best 8.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor beta
CHEMBL2094118
 Kd 8.31 8.205 4.9 2
Adrenergic receptor alpha
CHEMBL2094111
 Kd 7.5 7.5 31.6 1
Adrenergic receptor alpha
CHEMBL2095203
 Kd 7.45 7.4367 35.5 3
Plasmodium falciparum
CHEMBL364
 IC50 5.0 4.9667 10000.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor beta Kd = 4.898 nM 8.31 Evaluated for Adrenoceptor-binding action (pA2) on the Beta adrenergic receptor ... 6124636
Adrenergic receptor beta Kd = 7.943 nM 8.1 Evaluated for Adrenoceptor-binding action (pA2) on the Beta adrenergic receptor ... 6124636
Adrenergic receptor alpha Kd = 31.62 nM 7.5 In vitro relative blocking action (pA2) of the post-synaptic Alpha adrenergic re... 6124636
Adrenergic receptor alpha Kd = 35.48 nM 7.45 Evaluated for norepinephrine as agonist. 6124636
Adrenergic receptor alpha Kd = 36.31 nM 7.44 Evaluated for norepinephrine as agonist. 6124636
Adrenergic receptor alpha Kd = 38.02 nM 7.42 Evaluated for norepinephrine as agonist. 6124636
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
6124636 10.1021/jm00348a013 Adrenergic receptor alpha 8
19734910 10.1038/nchembio.215 Plasmodium falciparum 6
6124636 10.1021/jm00348a013 Unchecked 5
6124636 10.1021/jm00348a013 Adrenergic receptor beta 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 3
6124636 10.1021/jm00348a013 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
6124636 10.1021/jm00348a013 Beta-1 adrenergic receptor 2
6124636 10.1021/jm00348a013 Adrenergic receptor alpha-2 1
17417631 10.1038/nchembio873 Unchecked 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine