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Compound Detail

CHEMBL3769554

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CCOC(=O)Cc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769554
Phase Preclinical
Structure Type MOL
InChI Key TUSMLWZLFUAKOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
4.54
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O2
MW 384.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
26685880 10.1021/acs.jmedchem.5b01089 Structural capsid protein 1
26685880 10.1021/acs.jmedchem.5b01089 Human immunodeficiency virus 1 1
26685880 10.1021/acs.jmedchem.5b01089 ADMET 1

Data from ChEMBL 36 via Core Engine