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Compound Detail

CHEMBL4551451

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Cc1ccc(Nc2c(C(OC(C)(C)C)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4551451
Phase Preclinical
Structure Type MOL
InChI Key YVYXUSAIGXSJJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
5.70
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O3
MW 444.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
32081010 10.1021/acs.jmedchem.9b01681 Human immunodeficiency virus 1 1
32081010 10.1021/acs.jmedchem.9b01681 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine