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Compound Detail

CHEMBL3633694

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CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(O)c(-c4cccnc4)c3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633694
Phase Preclinical
Structure Type MOL
InChI Key JPHHELWIHXRDGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
3.58
ALogP
9
HBA
2
HBD
119.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O4S
MW 451.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
26344911 10.1016/j.ejmech.2015.08.012 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine