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Compound Detail

CHEMBL114652

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S=C(NCCN1CCOCC1)Nc1ccc(Br)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114652
Phase Preclinical
Structure Type MOL
InChI Key RDIVLNHYWPZVCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
1.46
ALogP
4
HBA
2
HBD
49.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17BrN4OS
MW 345.27
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -2.68

Literature References

PubMed DOI Target Context # Activities
10617082 10.1016/s0960-894x(99)00624-1 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine