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Compound Detail

CHEMBL117182

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CN1CCCC1CC/N=C(\S)Nc1ccc(Br)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117182
Phase Preclinical
Structure Type MOL
InChI Key AOJDCVGKKKIUDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
3.03
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.50
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 C13H19BrN4S
MW 343.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.91

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