General
Preferred name
tuxobertinib
Synonyms
BDTX-189 ()
BDTX189 ()
Bdtx-189 ()
P&D ID
PD150851
CAS
2414572-47-5
Tags
available
drug candidate
Drug indication
Solid tumour/cancer
Neoplasm
Drug Status
investigational
Max Phase
1.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Tuxobertinib (BDTX-189) is a potent, orally active and selective inhibitor of allosteric EGFR and HER2 oncogenic mutations, including EGFR/HER2 exon 20 insertion mutants. Tuxobertinib shows KDs of 0.2, 0.76, 13 and 1.2 nM for EGFR, HER2, BLK and RIPK2, reapectively. Anticancer activity[1].
PRICE 105
DESCRIPTION We obtained the chemical structure for tuxobertinib from WHO Proposed list 125. This mapped to PubChem CID 154824631. Tuxobertinib (BDTX-189) is an irreversible, orally active, ATP-competitive EGFR/HER2 inhibitor. It is being developed by Black Diamond Therapeutics as a therapy for cancers that are driven by oncogenic allosteric, activating mutations of the EGFR and ErbB2 (HER2). It was designed to minimize EGFR-WT mediated toxicities. Tuxobertinib is one of the examples claimed in patent US11034672B1 . (GtoPdb)
DESCRIPTION Tuxobertinib is a tyrosine kinase inhibitor and antineoplastic. (BOC Sciences Bioactive Compounds)
DESCRIPTION Tuxobertinib (BDTX-189) is a potent and selective inhibitor of allosteric EGFR and HER2 oncogenic mutations, with KDs of 0.2, 0.76, 13, and 1.2 nM for EGFR, HER2, BLK, and RIPK2, respectively, and exhibits anticancer activity. (TargetMol Bioactive Compound Library)
Compound Sets
10
AdooQ Bioactive Compound Library
A22306
BOC Sciences Bioactive Compounds
tuxobertinib-cas-2414572-47-5-372942
Cayman Chemical Bioactives
33932
ChEMBL Drugs
CHEMBL4650279
DrugMAP
DMODTX5
Guide to Pharmacology
11676
MedChem Express Bioactive Compound Library
HY-136789
PKIDB
Selleckchem Bioactive Compound Library
bdtx-189
TargetMol Bioactive Compound Library
T9072
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
560.19
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
11
Ring Count
5
Aromatic Ring Count
4
cLogP
4.84
TPSA
110.73
Fraction CSP3
0.24
Chiral centers
0.0
Largest ring
6.0
QED
0.25
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Apoptosis
JAK/STAT Signaling
NF-κB
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Target
EGFR
EGFR,HER2,RIP kinase
BLK
HER2
RIPK2
Source data