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Compound Detail

CHEMBL3785606

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Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)nc(Nc2cccc(C#N)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3785606
Phase Preclinical
Structure Type MOL
InChI Key LOGPVZJAFOVNKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
5.99
ALogP
8
HBA
2
HBD
130.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H19N7O
MW 457.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
26994843 10.1016/j.ejmech.2016.02.068 Unchecked 2
26994843 10.1016/j.ejmech.2016.02.068 MT4 1
26994843 10.1016/j.ejmech.2016.02.068 Human immunodeficiency virus 2 1
26994843 10.1016/j.ejmech.2016.02.068 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine