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Compound Detail

CHEMBL421351

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NCCCCCCNS(=O)(=O)c1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL421351
Phase Preclinical
Structure Type MOL
InChI Key IAZPXBSMKXCFDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
4.35
ALogP
4
HBA
3
HBD
100.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O2S
MW 448.59
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
9258370 10.1021/jm970232h Jurkat 1
9258370 10.1021/jm970232h Leishmania major 1

Data from ChEMBL 36 via Core Engine