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Compound Detail

CHEMBL415908

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CCN(CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL415908
Phase Preclinical
Structure Type MOL
InChI Key SBEAODWFNJHFMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
4.66
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N2O5
MW 476.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
7538590 10.1021/jm00010a010 C8166 2
7538590 10.1021/jm00010a010 Human immunodeficiency virus type 1 reverse transcriptase 1
7538590 10.1021/jm00010a010 Human immunodeficiency virus 1 1
7538590 10.1021/jm00010a010 MT4 1
19632850 10.1016/j.bmc.2009.06.060 Human immunodeficiency virus type 1 reverse transcriptase 1
22268494 10.1021/jm200990c Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine