AZD-3759
ID: CHEMBL3623290
Name: AZD-3759
Max Phase:
Phase 2
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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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corresponding source.
5
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# | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
---|---|---|---|---|---|---|
1. |
Carcinoma, Non-Small-Cell Lung
|
non-small cell lung carcinoma
| 2 |
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# | Mechanism of Action | Action Type | Target ChEMBL ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
---|---|---|---|---|---|---|---|---|
1. |
Epidermal growth factor receptor erbB1 inhibitor
|
INHIBITOR
|
Epidermal growth factor receptor erbB1
|
SINGLE PROTEIN
|
Homo sapiens
|
---
|
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Bioactivity Summary
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
Total
109
A - ADME
F - Functional
B - Binding
P - Physicochemical
T - Toxicity
Target Summary
Total
42
N/A
Enzyme
Epigenetic regulator
Membrane receptor
Histogram Settings
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
Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
---|---|---|---|---|---|
CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
CHEMBL2725 | Beta-lactamase | active | active | active | 6 |
CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | both | 7 |
CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
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.
Match | Identical Component | S | I | P |
---|---|---|---|---|
CHEMBL3623291 | ||||
CHEMBL3623290 | ||||
DB14795 | ||||
10456 | ||||
ZINC000221149297 |