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Compound Detail

CHEMBL3706828

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COCCOc1cc2ncnc(NC3=C(Sc4ccccn4)C(=O)C=C(OC)C3=O)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3706828
Phase Preclinical
Structure Type MOL
InChI Key MHKXBSYNIMEEBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.5
MW (Da)
3.16
ALogP
11
HBA
1
HBD
121.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O6S
MW 494.53
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
16302797 10.1021/jm050559f Vascular endothelial growth factor receptor 2 3

Data from ChEMBL 36 via Core Engine