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Compound Detail

CHEMBL248784

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CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248784
Phase Preclinical
Structure Type MOL
InChI Key XGGKUCGJWXDILN-AZGAKELHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
5.37
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N4O3
MW 474.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
17888659 10.1016/j.bmcl.2007.09.008 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine