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Compound Detail

CHEMBL2041968

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Nc1nc(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041968
Phase Preclinical
Structure Type MOL
InChI Key MBSMKZNWIQGALY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.3
MW (Da)
3.35
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.69
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 C19H18BrN3O2
MW 400.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
22283377 10.1021/jm201506e Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine