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Compound Detail

CHEMBL115871

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CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(=O)O)cc2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115871
Phase Preclinical
Structure Type MOL
InChI Key LSWVZSPAWLWFAD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

595.7
MW (Da)
4.91
ALogP
10
HBA
2
HBD
153.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N5O6S2
MW 595.70
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.15

Literature References

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

Data from ChEMBL 36 via Core Engine