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Compound Detail

CHEMBL291886

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C[C@H](/N=C(\S)Nc1ccc(Cl)cn1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291886
Phase Preclinical
Structure Type MOL
InChI Key LLSDBNJTMJQXIR-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

291.8
MW (Da)
4.19
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.51
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 C14H14ClN3S
MW 291.81
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.44

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