AZD-3759


ID: CHEMBL3623290
Name: AZD-3759
Max Phase:
Molecular Formula: C22H23ClFN5O3
Molecular Weight: 459.91
Molecule Type: Small molecule
Synonyms and Trade Names:
AZD 3759 AZD-3759 AZD3759 ZORIFERTINIB
Molfile:

Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL3623290
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Parent:

AZD-3759
Showing 1-1 out of 1 records
#MESH IDMESH HeadingEFO IDsEFO TermsMax Phase for IndicationReferences
1.
Carcinoma, Non-Small-Cell Lung
non-small cell lung carcinoma
2
Showing 1-1 out of 1 records
Showing 1-1 out of 1 records
#Mechanism of ActionAction TypeTarget ChEMBL IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences
1.
Epidermal growth factor receptor erbB1 inhibitor
INHIBITOR
Epidermal growth factor receptor erbB1
SINGLE PROTEIN
Homo sapiens
---
Showing 1-1 out of 1 records
Compounds similar to CHEMBL3623290
Compounds with at least 85% similarity.



Similarity: 100.00
1
1 out of 1
Bioactivity Summary
IC50 Activity Inhibition AUC Fu
Total
110
IC50
Activity
Inhibition
AUC
Fu
T1/2
K(p,uu,brain)
BPR
CL
Cmax
F
Ratio
Ratio IC50
Solubility
Vdss
CLH
K(p,uu,CSF)
LogD
Papp
Tmax
Assay Summary
A - ADME F - Func... B - Binding
Total
109
A - ADME
F - Functional
B - Binding
P - Physicochemical
T - Toxicity
Target Summary
N/A Enzyme
Total
42
N/A
Enzyme
Epigenetic regulator
Membrane receptor
Histogram Settings


0.5 1 1.5 2 2.5 3 2015 2016 2017 2018 2019 2020 2021 2022 Year→
Total
8
Journal:
N/A
J Med Chem
Eur J Med Chem
ACS Med Chem Lett

The table below displays ChEMBL targets which are predicted to interact with AZD-3759 (CHEMBL3623290). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not AZD-3759 (CHEMBL3623290) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveinactive6
CHEMBL2725Beta-lactamaseactiveactiveactive6
CHEMBL5062Coagulation factor Xemptyemptyempty6.5
CHEMBL1947Thyroid hormone receptor beta-1emptyemptyboth7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7inactiveinactiveinactive6
Molecular Weight:
459.91
Molecular Weight (Monoisotopic):
459.1473
AlogP:
4.31
#Rotatable Bonds:
4
Polar Surface Area:
79.82
Molecular Species:
NEUTRAL
HBA:
7
HBD:
1
#RO5 Violations:
0
HBA (Lipinski):
8
HBD (Lipinski):
1
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
13.81
CX Basic pKa:
7.10
CX LogP:
4.03
CX LogD:
3.86
Aromatic Rings:
3
Heavy Atoms:
32
QED Weighted:
0.62
Np Likeness Score:
-1.19
UniChem Connectivity Layer Cross References for CHEMBL3623290

Columns Legend:

  • S: stereochemical difference.
  • I: isotopic difference.
  • P: protonation differences identified.


ChEMBL
DrugBank
Guide to Pharmacology
ZINC
MatchIdentical ComponentSIP
CHEMBL3623291
CHEMBL3623290
DB14795
10456
ZINC000221149297
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