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Compound Detail

CHEMBL4630641

A-769
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CSc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL4630641
Name A-769
Phase Preclinical
Structure Type MOL
InChI Key CWIBKFSDMFUDFD-UHFFFAOYSA-N

Known Names

A-423769
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
1
Known Names

Molecular Properties

339.5
MW (Da)
3.00
ALogP
5
HBA
1
HBD
48.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5S
MW 339.47
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.97

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4507260 Tyrosine-protein kinase ABL1 15
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL4507260 Epidermal growth factor receptor 12
- 10.6019/CHEMBL4507260 Receptor-type tyrosine-protein kinase FLT3 11
- 10.6019/CHEMBL4689842 Fibroblast 10
- 10.6019/CHEMBL4507260 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 10
- 10.6019/CHEMBL4689842 HEK-293T 10
- 10.6019/CHEMBL4507260 Mast/stem cell growth factor receptor Kit 9
- 10.6019/CHEMBL4689842 U2OS 8
- 10.6019/CHEMBL4507260 Unchecked 7
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
- 10.1158/2159-8290.CD-23-0050 Colon cancer organoid 5
- 10.6019/CHEMBL4507260 Proto-oncogene tyrosine-protein kinase receptor Ret 4
- 10.6019/CHEMBL4507260 Hepatocyte growth factor receptor 3
- 10.6019/CHEMBL4507260 ALK tyrosine kinase receptor 3
- 10.6019/CHEMBL4507260 Ribosomal protein S6 kinase alpha-4 2
- 10.6019/CHEMBL4507260 Ribosomal protein S6 kinase alpha-1 2
- 10.6019/CHEMBL4507260 Tyrosine-protein kinase JAK1 2
- 10.6019/CHEMBL4507260 Ribosomal protein S6 kinase alpha-5 2

Data from ChEMBL 36 via Core Engine