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Compound Detail

CHEMBL337096

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CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(C)cc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337096
Phase Preclinical
Structure Type MOL
InChI Key QQMCKDZJCQAODG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.5
MW (Da)
4.17
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N5
MW 325.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
8893828 10.1021/jm960148m Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine