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Compound Detail

CHEMBL770

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

Basic Information

ChEMBL ID CHEMBL770
Name TOLAZOLINE
Phase Approved
Structure Type MOL
InChI Key JIVZKJJQOZQXQB-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

NSC-35110 Tolazine Tolazolina Tolazoline
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names
3
Indications

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

Flags

Natural Product
USAN Stem -azoline

Extended Properties

Molecular Formula C10H12N2
MW 160.22
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.18

Indications

Arthralgia Cardiovascular Diseases Myalgia

ATC Classification

C04AB02
tolazoline
Level 1: CARDIOVASCULAR SYSTEM
Level 2: PERIPHERAL VASODILATORS
M02AX02
tolazoline
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN

Activity Summary

Kd 3 meas. best 5.82
IC50 2 meas. best 6.55
Ki 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor alpha-2
CHEMBL2093864
 Ki 6.75 6.75 180.0 1
Adrenergic receptor alpha-2
CHEMBL2093864
 IC50 6.55 6.55 280.0 1
Adrenergic receptor alpha-2
CHEMBL2093864
 Kd 5.82 5.82 1513.6 1
Trace amine-associated receptor 1
CHEMBL5857
 Ki 5.79 5.79 1640.0 1
Adrenergic receptor alpha-1
CHEMBL1907610
 IC50 5.68 5.68 2100.0 1
Adrenergic receptor alpha-1
CHEMBL1907610
 Kd 5.66 5.66 2187.8 1
Adrenergic receptor alpha-1
CHEMBL2094251
 Kd 5.41 5.41 3890.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor alpha-2 Ki = 180.0 nM 6.75 Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain memb... 6296387
Adrenergic receptor alpha-2 IC50 = 280.0 nM 6.55 Inhibition of specific [3H]-clonidine binding (0.4 nM) to rat brain membranes al... 6142954
Adrenergic receptor alpha-2 Kd = 1513.56 nM 5.82 Antagonist activity against B-HT 933-induced alpha-2-adrenoceptor-mediated vasoc... 6142954
Trace amine-associated receptor 1 Ki = 1640.0 nM 5.79 Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine f... 22795332
Adrenergic receptor alpha-1 IC50 = 2100.0 nM 5.68 Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alp... 6142954
Adrenergic receptor alpha-1 Kd = 2187.76 nM 5.66 Antagonist activity against phenylephrine-induced alpha1- adrenoceptor mediated ... 6142954
Adrenergic receptor alpha-1 Kd = 3890.45 nM 5.41 Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alph... 6142954

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
13215 10.1021/jm00211a010 No relevant target 4
22381672 10.1016/j.bmc.2012.02.009 Rattus norvegicus 4
6142954 10.1021/jm00370a011 Adrenergic receptor alpha-2 3
6142954 10.1021/jm00370a011 Adrenergic receptor alpha-1 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
6142954 10.1021/jm00370a011 Adrenergic receptor alpha 2

Data from ChEMBL 36 via Core Engine