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Compound Detail

CHEMBL138687

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CCCN(CC1CC1)c1nc(C)cc(Nc2c(Cl)cc(Cl)cc2Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138687
Phase Preclinical
Structure Type MOL
InChI Key UMVDADBXDQGMEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.8
MW (Da)
6.12
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21Cl3N4
MW 399.75
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
8893829 10.1021/jm960149e Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine