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Compound Detail

CHEMBL115372

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Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(CO)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115372
Phase Preclinical
Structure Type MOL
InChI Key ZYKPJIDIIVSKGM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
4.29
ALogP
9
HBA
2
HBD
136.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5O5S
MW 549.65
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.08

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11585442 10.1021/jm000538f Endothelin-1 receptor 1

Data from ChEMBL 36 via Core Engine