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Compound Detail

CHEMBL4532093

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Cc1ccc(-c2c(C(O)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4532093
Phase Preclinical
Structure Type MOL
InChI Key PBRWJKYEARJTLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.80
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O3
MW 373.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.02

Literature References

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

Data from ChEMBL 36 via Core Engine