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Compound Detail

CHEMBL137122

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CCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cccc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137122
Phase Preclinical
Structure Type MOL
InChI Key CIEUSDAXGNYDKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
4.57
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5
MW 347.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.41

Literature References

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

Data from ChEMBL 36 via Core Engine