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Compound Detail

CHEMBL458598

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COc1ccc2c(c1)CCN2c1cc(-n2ccc(-c3nccs3)n2)cc(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458598
Phase Preclinical
Structure Type MOL
InChI Key DFSWHVKCNMWGJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.40
ALogP
7
HBA
0
HBD
56.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N5OS
MW 389.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
18975927 10.1021/jm800743q Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine