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Compound Detail

CHEMBL3140361

ETHAMBUTOL HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3140361
Name ETHAMBUTOL HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key AUAHHJJRFHRVPV-BZDVOYDHSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL44884
Active Moiety CHEMBL44884

Known Names

CL 40881 CL-40881 Dadibutol Dexambutol Ebutol Etapiam Ethambutol dihydrochloride Ethambutol hcl Ethambutol hydrochloride Ethambutoli hydrochloridum Etibi Myambutol +9 more
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
21
Known Names
4
Indications
1
Mechanisms

Molecular Properties

204.3
MW (Da)
-0.29
ALogP
4
HBA
4
HBD
64.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1967
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Year 1963

Extended Properties

Molecular Formula C10H26Cl2N2O2
MW 277.24
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.06

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Arabinosyltransferase A inhibitor INHIBITOR Probable arabinosyltransferase A ✓ ✓

Indications

Tuberculosis Tuberculosis, Pulmonary Mycobacterium avium-intracellulare Infection HIV Infections

Activity Summary

IC50 1 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-binding cassette sub-family C member 3
CHEMBL5918
 IC50 4.05 4.05 88200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ATP-binding cassette sub-family C member 3 IC50 = 88200.0 nM 4.05 Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles asse... 23956101

Literature References

PubMed DOI Target Context # Activities
28882482 10.1016/j.bmcl.2017.08.057 Mycolicibacterium smegmatis 3
23524112 10.1016/j.ejmech.2013.02.034 Mycobacterium tuberculosis 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24177364 10.1016/j.ejmech.2013.10.015 Mycobacterium tuberculosis 2
24836067 10.1016/j.ejmech.2014.05.007 Mycobacterium tuberculosis 2
24836067 10.1016/j.ejmech.2014.05.007 HEK-293T 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
28512022 10.1016/j.bmcl.2017.05.011 Mycobacterium tuberculosis 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 4 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1
23956101 10.1093/toxsci/kft176 Bile salt export pump 1
27914798 10.1016/j.bmcl.2016.11.071 Mycobacterium tuberculosis 1
24878196 10.1016/j.bmcl.2014.05.026 Mycobacterium tuberculosis 1
22154833 10.1016/j.ejmech.2011.11.035 No relevant target 1
24332625 10.1016/j.bmcl.2013.11.050 Mycobacterium tuberculosis 1
23524112 10.1016/j.ejmech.2013.02.034 HEK-293T 1
23524112 10.1016/j.ejmech.2013.02.034 Unchecked 1
22154833 10.1016/j.ejmech.2011.11.035 Mycobacterium tuberculosis 1
22154833 10.1016/j.ejmech.2011.11.035 HEK-293T 1

Data from ChEMBL 36 via Core Engine