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Compound Detail

CHEMBL5557082

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Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(Nc2cn[nH]c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557082
Phase Preclinical
Structure Type MOL
InChI Key HUZPZZNYAAUFLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

584.1
MW (Da)
6.71
ALogP
8
HBA
3
HBD
134.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22ClN7O3S
MW 584.06
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
38748820 10.1021/acs.jmedchem.3c02425 Serine/threonine-protein kinase/endoribonuclease IRE1 3

Data from ChEMBL 36 via Core Engine