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Compound Detail

CHEMBL180137

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CCc1nc2n(c1C(=O)N(Cc1ccccc1)Cc1ccccc1)CCN2c1c(C)cc(C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL180137
Phase Preclinical
Structure Type MOL
InChI Key VFRKOGIUMXVEER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
6.37
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.31
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 C31H34N4O
MW 478.64
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
15990298 10.1016/j.bmcl.2005.05.117 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine