TUCATINIB

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EH03
UNII: 234248D0HH

Structure
InChI Key SDEAXTCZPQIFQM-UHFFFAOYSA-N
Smile Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1
InChI
InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24N8O2
Molecular Weight 480.53
AlogP 5.09
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 110.85
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Receptor protein-tyrosine kinase erbB-2 inhibitor
Primary Target
erb-b2 receptor tyrosine kinase 2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TKL protein kinase group
- - 1065 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 2-14 2534 - -
Enzyme Lyase
- - 3912 - -
Enzyme Oxidoreductase
- - 2463 - -
Enzyme Transferase
- - - - 6.045
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -3.24--1.57
Unclassified protein
- - 188 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Colorectal Neoplasms 4 D015179 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Hemangiosarcoma 2 D006394 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 937263-43-9
ChEMBL CHEMBL3989868
DrugBank DB11652
DrugCentral 5389
FDA SRS 234248D0HH
Guide to Pharmacology 9922
PubChem 51039094
SureChEMBL SCHEMBL1193050
ZINC ZINC000068250462
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