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Compound Detail

CHEMBL4279776

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COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cn(Cc3cccc([N+](=O)[O-])c3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4279776
Phase Preclinical
Structure Type MOL
InChI Key NYGBNAJYNXLURP-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
3.25
ALogP
8
HBA
1
HBD
132.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N6O5
MW 514.54
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
30243152 10.1016/j.ejmech.2018.09.029 Human immunodeficiency virus 1 1
30243152 10.1016/j.ejmech.2018.09.029 MT4 1
30243152 10.1016/j.ejmech.2018.09.029 Unchecked 1

Data from ChEMBL 36 via Core Engine