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Compound Detail

CHEMBL3735060

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COc1nc2cc3cccnc3c(Cl)c2nc1C(C)C

Basic Information

ChEMBL ID CHEMBL3735060
Phase Preclinical
Structure Type MOL
InChI Key DDJNKVAUOCHNHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

287.8
MW (Da)
3.96
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.67
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 C15H14ClN3O
MW 287.75
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
26479028 10.1016/j.ejmech.2015.10.002 ADMET 3
26479028 10.1016/j.ejmech.2015.10.002 MT4 1
26479028 10.1016/j.ejmech.2015.10.002 Human immunodeficiency virus 1 1
26479028 10.1016/j.ejmech.2015.10.002 Bovine viral diarrhea virus 1 1
26479028 10.1016/j.ejmech.2015.10.002 Yellow fever virus 1
26479028 10.1016/j.ejmech.2015.10.002 NON-PROTEIN TARGET 1
26479028 10.1016/j.ejmech.2015.10.002 Coxsackievirus B5 1
26479028 10.1016/j.ejmech.2015.10.002 Human poliovirus 1 strain Sabin 1
26479028 10.1016/j.ejmech.2015.10.002 Respiratory syncytial virus 1
26479028 10.1016/j.ejmech.2015.10.002 Vesicular stomatitis virus 1
26479028 10.1016/j.ejmech.2015.10.002 Vaccinia virus 1
26479028 10.1016/j.ejmech.2015.10.002 Human alphaherpesvirus 1 1
27161176 10.1016/j.ejmech.2016.03.080 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine