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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23ClFN5O3
Molecular Weight 459.9019
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZORIFERTINIB

SMILES

C[C@]1([H])CN(C)CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl

InChI

InChIKey=MXDSJQHFFDGFDK-CYBMUJFWSA-N
InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H23ClFN5O3
Molecular Weight 459.9019
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

AZD-3759 is an oral inhibitor of both wild-type and mutant EGFR with IC50 values in nanomolar range. The drug was discovered by AstraZeneca for the treatment of non-small-cell lung cancer with CNS metastases. AZD-3759 can penetrate the blood-brain barrier and was confirmed to be effective in vitro with NSCLC cell lines as well as in mouse model of brain metastases. AZD-3759 is currently in Phase 1 clinical trial.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
102.0 nM [IC50]
Target ID: P00533|||Q9GZX1
Gene ID: 1956.0
Gene Symbol: EGFR
Target Organism: Homo sapiens (Human)
0.28 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG



Drug as perpetrator​Drug as victim

Drug as victim

Tox targets

Tox targets

TargetModalityActivityMetaboliteClinical evidence
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

AZD-3759 is given at a dose of 50 mg, administered twice daily, or 160 mag, administered once daily.
Route of Administration: Oral
100 uL of NCI-H3255 (EGFR L858R), NCI-H838 (EGFR wild type) and PC-9 (Exon 19 deletion EGFR) cells were seeded in 96 well cell culture plates and incubated at 37C with 5% CO2 overnight and then treated with AZD-3759 at concentrations ranging from 10 to 0.0003 mM. IC50s for cellular inhibition of EGFR phosphorylation were 7.2, 64.5, 7.7 nM, respectively. In cellular proliferation assay, the cells were exposed to concentrations of compounds ranging from 30 to 0.0003 mM for 72 hours. GI50 values were 7, 21556 and 7.7 nM, respectively.
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:45:00 UTC 2021
Edited
by admin
on Sat Jun 26 07:45:00 UTC 2021
Record UNII
67SX9H68W2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZORIFERTINIB
INN  
Official Name English
AZD-3759
Preferred Name English
AZD3759
Code English
ZORIFERTINIB [WHO-DD]
Common Name English
1-PIPERAZINECARBOXYLIC ACID, 2,4-DIMETHYL-, 4-((3-CHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL ESTER, (2R)-
Systematic Name English
ZORIFERTINIB [INN]
Common Name English
Code System Code Type Description
DRUG BANK
DB14795
Created by admin on Sat Jun 26 07:45:00 UTC 2021 , Edited by admin on Sat Jun 26 07:45:00 UTC 2021
PRIMARY
FDA UNII
67SX9H68W2
Created by admin on Sat Jun 26 07:45:00 UTC 2021 , Edited by admin on Sat Jun 26 07:45:00 UTC 2021
PRIMARY
INN
11144
Created by admin on Sat Jun 26 07:45:00 UTC 2021 , Edited by admin on Sat Jun 26 07:45:00 UTC 2021
PRIMARY
NCI_THESAURUS
C118289
Created by admin on Sat Jun 26 07:45:00 UTC 2021 , Edited by admin on Sat Jun 26 07:45:00 UTC 2021
PRIMARY
PUBCHEM
78209992
Created by admin on Sat Jun 26 07:45:00 UTC 2021 , Edited by admin on Sat Jun 26 07:45:00 UTC 2021
PRIMARY
CAS
1626387-80-1
Created by admin on Sat Jun 26 07:45:00 UTC 2021 , Edited by admin on Sat Jun 26 07:45:00 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
CSF/PLASMA RATIO BIOLOGICAL SPECIES
BIOLOGICAL