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Compound Detail

CHEMBL839

CARTEOLOL
💊 Approved Drug
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💊 Approved Drug
CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL839
Name CARTEOLOL
Phase Approved
Structure Type MOL
InChI Key LWAFSWPYPHEXKX-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Carteolol
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
20
Publications
1
Known Names
2
Indications

Molecular Properties

292.4
MW (Da)
1.70
ALogP
4
HBA
3
HBD
70.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1988
Availability Prescription
Chirality Racemic

Routes of Administration

Oral Topical

Flags

Natural Product
USAN Stem -olol
USAN Year 1976

Extended Properties

Molecular Formula C16H24N2O3
MW 292.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.34

Indications

Cardiovascular Diseases Glaucoma

ATC Classification

C07AA15
carteolol
Level 1: CARDIOVASCULAR SYSTEM
Level 2: BETA BLOCKING AGENTS
S01ED05
carteolol
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
S01ED55
carteolol, combinations
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

Ki 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-1 adrenergic receptor
CHEMBL213
 Ki 8.72 8.72 1.9 1

Pharmacokinetic Data

Parameter Value Units Species
F 80.0 % Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-1 adrenergic receptor Ki = 1.9 nM 8.72 Inhibition of [3H]dihydroalprenolol binding to beta 1 adrenoceptor from turkey e... 8093626

Literature References

PubMed DOI Target Context # Activities
16472241 10.2174/1570163043334794 Hepatotoxicity 18
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
- 10.1016/S0960-894X(97)00046-2 ADMET 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
10891117 10.1021/jm0000564 ADMET 2
10891117 10.1021/jm0000564 No relevant target 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
8093626 10.1021/jm00053a020 Adrenergic receptor beta 2
20185316 10.1016/j.bmc.2010.01.068 Trypanosoma cruzi 1
20185316 10.1016/j.bmc.2010.01.068 Trypanosoma brucei rhodesiense 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine