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Compound Detail

CHEMBL1958245

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CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c(=O)[nH]c3=S)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958245
Phase Preclinical
Structure Type MOL
InChI Key UXWLQXZBZXAXQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
4.12
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.47
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 C20H18N4O2S
MW 378.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine