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Compound Detail

CHEMBL3787427

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Cc1cccc(Nc2cc(Oc3c(C)cc(C)cc3C)nc(Nc3ccc(C#N)cc3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787427
Phase Preclinical
Structure Type MOL
InChI Key LEZWZDBCLWNSKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
6.86
ALogP
6
HBA
2
HBD
82.9
PSA (Ų)
0.34
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 C27H25N5O
MW 435.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
26994843 10.1016/j.ejmech.2016.02.068 Unchecked 3
26994843 10.1016/j.ejmech.2016.02.068 Human immunodeficiency virus 1 2
26994843 10.1016/j.ejmech.2016.02.068 MT4 1
26994843 10.1016/j.ejmech.2016.02.068 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine