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Compound Detail

CHEMBL4064497

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O=c1c2cccc(Cl)c2ncn1-c1ccc(N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4064497
Phase Preclinical
Structure Type MOL
InChI Key IWDFROQNIPADMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
2.88
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClN3O2
MW 341.80
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
27810591 10.1016/j.ejmech.2016.10.040 NIH3T3 1
27810591 10.1016/j.ejmech.2016.10.040 Unchecked 1

Data from ChEMBL 36 via Core Engine