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Compound Detail

CHEMBL425051

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CCOC(=O)c1cnc2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425051
Phase Preclinical
Structure Type MOL
InChI Key YEEFTSBMAXQXJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
5.49
ALogP
7
HBA
1
HBD
71.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O4S
MW 462.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
16789738 10.1021/jm0512894 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine