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Compound Detail

CHEMBL182585

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CCc1nc2n(c1C(=O)NN1CCN(c3ccccc3F)CC1)CCN2c1c(C)cc(C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182585
Phase Preclinical
Structure Type MOL
InChI Key IERYICVNLAWODN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
4.13
ALogP
6
HBA
1
HBD
56.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33FN6O
MW 476.60
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.52

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