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Compound Detail

CHEMBL91473

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O=C(CC/N=C(\S)Nc1ccc(Br)cn1)c1cc(F)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91473
Phase Preclinical
Structure Type MOL
InChI Key LBMPVNZCFRFQOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.2
MW (Da)
4.09
ALogP
3
HBA
2
HBD
54.4
PSA (Ų)
0.34
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 C15H12BrF2N3OS
MW 400.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
10698450 10.1016/s0960-894x(99)00675-7 Human immunodeficiency virus type 1 reverse transcriptase 1
10698450 10.1016/s0960-894x(99)00675-7 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine