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Compound Detail

CHEMBL180381

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CCCN(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL180381
Phase Preclinical
Structure Type MOL
InChI Key HISQHLVXTSTURT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.8
MW (Da)
3.77
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.78
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 C16H23ClN4O
MW 322.84
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
15743196 10.1021/jm049339c Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine