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Compound Detail

CHEMBL63222

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C[C@H](/N=C(\S)Nc1ccc(Br)cn1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63222
Phase Preclinical
Structure Type MOL
InChI Key WMMABLBMGCIGSP-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
4.51
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20BrN3S
MW 342.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
10999473 10.1016/s0960-894x(00)00398-x Human immunodeficiency virus type 1 reverse transcriptase 2
10999473 10.1016/s0960-894x(00)00398-x Human immunodeficiency virus 1 2
10999473 10.1016/s0960-894x(00)00398-x ADMET 1
10999473 10.1016/s0960-894x(00)00398-x H9 1

Data from ChEMBL 36 via Core Engine