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Compound Detail

CHEMBL3786801

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Cc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786801
Phase Preclinical
Structure Type MOL
InChI Key VKBZAIFXKGRRJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

455.9
MW (Da)
7.21
ALogP
6
HBA
2
HBD
82.9
PSA (Ų)
0.32
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 C26H22ClN5O
MW 455.95
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.40

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