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Compound Detail

CHEMBL496270

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CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)nc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496270
Phase Preclinical
Structure Type MOL
InChI Key AUDZLQBYKYSLAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.3
MW (Da)
5.39
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.66
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 C18H23Cl2N3O
MW 368.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
18672365 10.1016/j.bmcl.2008.07.063 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine