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Compound Detail

CHEMBL4291839

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NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4291839
Phase Preclinical
Structure Type MOL
InChI Key WMHHYMOWLPRUDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
2.26
ALogP
7
HBA
2
HBD
119.5
PSA (Ų)
0.48
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 C18H15N5O3S2
MW 413.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.58

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 1
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine