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Compound Detail

CHEMBL2041967

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CCOCn1c(Cc2cc(C)cc(C)c2)c(Br)c(N)nc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041967
Phase Preclinical
Structure Type MOL
InChI Key RZZKGCDBXLCESO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
2.79
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20BrN3O2
MW 366.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.46

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