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Compound Detail

CHEMBL1641780

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COc1cc2ncnc(NN3CCOCC3)c2cc1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1641780
Phase Preclinical
Structure Type MOL
InChI Key MZNFATFIUGOKAM-UHFFFAOYSA-N
Parent Compound CHEMBL1739091
Active Moiety CHEMBL1739091
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
1.31
ALogP
7
HBA
1
HBD
68.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19ClN4O3
MW 326.78
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
21185195 10.1016/j.bmc.2010.11.057 Tyrosine-protein kinase JAK2 2
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