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Compound Detail

CHEMBL306866

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CCCN(CCC)c1nc(C)nc2c(-c3cccc(Cl)c3)n(C)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306866
Phase Preclinical
Structure Type MOL
InChI Key OXXFXHIBUKZYFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.9
MW (Da)
4.62
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClN5
MW 357.89
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
12127521 10.1016/s0960-894x(02)00358-x Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine