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Compound Detail

CHEMBL3608742

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NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(c5nc6cc(Cl)ccc6[nH]5)CC4)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3608742
Phase Preclinical
Structure Type MOL
InChI Key CQZKMSJQDJBXSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

579.1
MW (Da)
4.25
ALogP
8
HBA
2
HBD
136.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27ClN6O4S
MW 579.08
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
26191359 10.1021/ml500531p Mycobacterium tuberculosis 1
26191359 10.1021/ml500531p Voltage-gated inwardly rectifying potassium channel KCNH2 1
26191359 10.1021/ml500531p Caco-2 1

Data from ChEMBL 36 via Core Engine