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Compound Detail

CHEMBL136596

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

Basic Information

ChEMBL ID CHEMBL136596
Phase Preclinical
Structure Type MOL
InChI Key BELAWFDFLREXKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
4.96
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.64
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 C22H27N5
MW 361.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.37

Literature References

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

Data from ChEMBL 36 via Core Engine