Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL609

TRIENTINE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug

Basic Information

ChEMBL ID CHEMBL609
Name TRIENTINE
Phase Approved
Structure Type MOL
InChI Key VILCJCGEZXAXTO-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

NSC-443 Trethylenetetramine Trientina Trientine Triethylene tetraamine Triethylene tetramine
14
Targets
15
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
4
Indications

Molecular Properties

146.2
MW (Da)
-1.92
ALogP
4
HBA
4
HBD
76.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1985
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Year 1984

Extended Properties

Molecular Formula C6H18N4
MW 146.24
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.09

Indications

Hepatolenticular Degeneration Cardiomyopathy, Hypertrophic Melanoma Neoplasms

ATC Classification

A16AX12
trientine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS

Activity Summary

Ki 13 meas. best 4.92
IC50 2 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HeLa
CHEMBL399
 IC50 5.11 4.62 7800.0 2
Carbonic anhydrase 14
CHEMBL3510
 Ki 4.92 4.92 12100.0 1
Carbonic anhydrase 4
CHEMBL3729
 Ki 4.46 4.46 35000.0 1
Carbonic anhydrase 5A, mitochondrial
CHEMBL4789
 Ki 4.42 4.42 38000.0 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 4.41 4.41 39000.0 1
Carbonic anhydrase 6
CHEMBL3025
 Ki 4.37 4.37 43000.0 1
Carbonic anhydrase 7
CHEMBL2326
 Ki 4.35 4.35 45000.0 1
Carbonic anhydrase 3
CHEMBL2885
 Ki 4.32 4.32 48000.0 1
Carbonic anhydrase 5B, mitochondrial
CHEMBL3969
 Ki 4.31 4.31 49000.0 1
Carbonic anhydrase 13
CHEMBL2186
 Ki 4.28 4.28 52000.0 1
Carbonic anhydrase 12
CHEMBL3242
 Ki 4.24 4.24 57000.0 1
Carbonic anhydrase 15
CHEMBL5973
 Ki 4.23 4.23 59000.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 4.19 4.19 64000.0 1
Carbonic anhydrase 1
CHEMBL261
 Ki 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HeLa IC50 = 7800.0 nM 5.11 Inhibitory activity against HeLa cell line using 3-(4,5-dimethylthiazol-2-yl)-2,... 14592476
Carbonic anhydrase 14 Ki = 12100.0 nM 4.92 Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 4 Ki = 35000.0 nM 4.46 Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 5A, mitochondrial Ki = 38000.0 nM 4.42 Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 9 Ki = 39000.0 nM 4.41 Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 6 Ki = 43000.0 nM 4.37 Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 7 Ki = 45000.0 nM 4.35 Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 3 Ki = 48000.0 nM 4.32 Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 5B, mitochondrial Ki = 49000.0 nM 4.31 Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 13 Ki = 52000.0 nM 4.28 Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 12 Ki = 57000.0 nM 4.24 Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 15 Ki = 59000.0 nM 4.23 Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method 20590092
Carbonic anhydrase 2 Ki = 64000.0 nM 4.19 Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method 20590092
HeLa IC50 = 74800.0 nM 4.13 Inhibitory activity against HeLa cell line using 3-(4,5-dimethylthiazol-2-yl)-2,... 14592476
Carbonic anhydrase 1 Ki = 100000.0 nM 4.0 Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method 20590092

Literature References

PubMed DOI Target Context # Activities
16472241 10.2174/1570163043334794 Hepatotoxicity 18
23024204 10.1124/dmd.112.047274 Thialysine N-epsilon-acetyltransferase 7
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
23024204 10.1124/dmd.112.047274 Diamine acetyltransferase 1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic 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 Alpha-2A adrenergic receptor 2
14592476 10.1016/j.bmcl.2003.09.004 HeLa 2
20590092 10.1021/jm1003667 Carbonic anhydrase 9 1
20590092 10.1021/jm1003667 Carbonic anhydrase 12 1

Data from ChEMBL 36 via Core Engine