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Compound Detail

CHEMBL1641773

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COc1ccc(CCNc2ncnc3cc(OC)c(OC)cc23)cc1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1641773
Phase Preclinical
Structure Type MOL
InChI Key WNVHCGGECLTYED-UHFFFAOYSA-N
Parent Compound CHEMBL1516617
Active Moiety CHEMBL1516617
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.32
ALogP
7
HBA
1
HBD
74.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24ClN3O4
MW 405.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
21185195 10.1016/j.bmc.2010.11.057 Tyrosine-protein kinase JAK2 1
21185195 10.1016/j.bmc.2010.11.057 SK-OV-3 1
21185195 10.1016/j.bmc.2010.11.057 HeLa 1
21185195 10.1016/j.bmc.2010.11.057 HT-29 1

Data from ChEMBL 36 via Core Engine