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Compound Detail

CHEMBL1689

TOLAZOLINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
Cl.c1ccc(CC2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1689
Name TOLAZOLINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key RHTNTTODYGNRSP-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL770
Active Moiety CHEMBL770

Known Names

Benzidazol NSC-757353 Priscol Priscoline TCMDC-125842 Tolazoline hcl Tolazoline hydrochloride
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
16
Publications
7
Known Names
3
Mechanisms

Molecular Properties

160.2
MW (Da)
1.23
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1985
Availability Discontinued
Chirality Achiral

Routes of Administration

Parenteral
USAN Stem -azoline

Extended Properties

Molecular Formula C10H13ClN2
MW 196.68
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.18

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Histamine H1 receptor agonist AGONIST Histamine H1 receptor ✓ ✓
Histamine H2 receptor agonist AGONIST Histamine H2 receptor ✓ ✓
Adrenergic receptor alpha antagonist ANTAGONIST Adrenergic receptor alpha ✓ ✓

Activity Summary

EC50 1 meas. best 6.0
IC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trace amine-associated receptor 1
CHEMBL5857
 EC50 6.0 6.0 1011.0 1
Trace amine-associated receptor 1
CHEMBL5857
 IC50 5.32 5.32 4742.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trace amine-associated receptor 1 EC50 = 1011.0 nM 6.0 PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... -
Trace amine-associated receptor 1 IC50 = 4742.0 nM 5.32 PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... -

Literature References

PubMed DOI Target Context # Activities
20485427 10.1038/nature09107 Plasmodium falciparum 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
20485427 10.1038/nature09107 HepG2 1
20485427 10.1038/nature09107 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
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine