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Compound Detail

CHEMBL3989868

TUCATINIB
💊 Approved Drug
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💊 Approved Drug
Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989868
Name TUCATINIB
Phase Approved
Structure Type MOL
InChI Key SDEAXTCZPQIFQM-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

ARRY-380 Irbinitinib MK-7119 Ont-380 Tucatinib Tukysa
7
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
17
Indications
1
Mechanisms

Molecular Properties

480.5
MW (Da)
5.09
ALogP
10
HBA
2
HBD
110.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2020
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -tinib
USAN Year 2016

Extended Properties

Molecular Formula C26H24N8O2
MW 480.53
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.03

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Receptor protein-tyrosine kinase erbB-2 inhibitor INHIBITOR Receptor tyrosine-protein kinase erbB-2 ✓ ✓

Indications

Breast Neoplasms Breast Neoplasms Breast Neoplasms Breast Neoplasms Colorectal Neoplasms Colorectal Neoplasms Neoplasm Metastasis Neoplasms Neoplasms Colonic Neoplasms Hemangiosarcoma Stomach Neoplasms Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Leukemia, Myelogenous, Chronic, BCR-ABL Positive Liver Diseases Lung Neoplasms

ATC Classification

L01EH03
tucatinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 8 meas. best 8.7
Kd 5 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor tyrosine-protein kinase erbB-2
CHEMBL1824
 IC50 8.7 8.204 2.0 5
Myosin-14
CHEMBL4105888
 Kd 6.73 6.73 188.0 1
Unchecked
CHEMBL612545
 IC50 6.36 6.36 438.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 6.35 6.35 449.0 2
Receptor-interacting serine/threonine-protein kinase 3
CHEMBL1795199
 Kd 5.97 5.97 1065.0 1
Ribosyldihydronicotinamide dehydrogenase [quinone]
CHEMBL3959
 Kd 5.61 5.61 2463.0 1
Epidermal growth factor receptor
CHEMBL203
 Kd 5.6 5.6 2534.0 1
Ferrochelatase, mitochondrial
CHEMBL3879831
 Kd 5.41 5.41 3912.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor tyrosine-protein kinase erbB-2 IC50 = 2.0 nM 8.7 Inhibition Assay: HER2: The compounds' inhibition of target modulation were dete... -
Receptor tyrosine-protein kinase erbB-2 IC50 = 6.9 nM 8.16 Inhibition of N-terminal GST fused HER2 (679 to 1255 residues) (unknown origin) ... 34624192
Receptor tyrosine-protein kinase erbB-2 IC50 = 6.9 nM 8.16 Inhibition of HER2 (unknown origin) 35319895
Receptor tyrosine-protein kinase erbB-2 IC50 = 7.0 nM 8.15 Inhibition of wild-type HER2 phosphorylation in human BT-474 cells incubated for... 38820338
Receptor tyrosine-protein kinase erbB-2 IC50 = 14.0 nM 7.85 Inhibition of HER2 (unknown origin) 33540357
Myosin-14 Kd = 188.0 nM 6.73 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Unchecked IC50 = 438.0 nM 6.36 Inhibition of human HER2 YVMA mutant phosphorylation expressed in mouse NIH3T3 c... 38820338
Epidermal growth factor receptor IC50 = 449.0 nM 6.35 Inhibition of N-terminal GST fused EGFR (668 to 1091 residues) (unknown origin) ... 34624192
Epidermal growth factor receptor IC50 = 449.0 nM 6.35 Inhibition of EGFR (unknown origin) 35319895
Receptor-interacting serine/threonine-protein kinase 3 Kd = 1065.0 nM 5.97 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Ribosyldihydronicotinamide dehydrogenase [quinone] Kd = 2463.0 nM 5.61 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Epidermal growth factor receptor Kd = 2534.0 nM 5.6 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Ferrochelatase, mitochondrial Kd = 3912.0 nM 5.41 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 RAC-beta serine/threonine-protein kinase 1
29191878 10.1126/science.aan4368 RAC-alpha serine/threonine-protein kinase 1
29191878 10.1126/science.aan4368 Beta-adrenergic receptor kinase 1 1
29191878 10.1126/science.aan4368 Adenosine kinase 1
29191878 10.1126/science.aan4368 Atypical kinase COQ8A, mitochondrial 1
29191878 10.1126/science.aan4368 AarF domain-containing protein kinase 1 1
29191878 10.1126/science.aan4368 Activin receptor type-2B 1
29191878 10.1126/science.aan4368 AP2-associated protein kinase 1 1
38820338 10.1021/acs.jmedchem.4c00978 Epidermal growth factor receptor 1
29191878 10.1126/science.aan4368 Actin-related protein 3 1
29191878 10.1126/science.aan4368 Actin-related protein 2 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 3 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 11 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 10 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1

Data from ChEMBL 36 via Core Engine