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Compound Detail

CHEMBL519339

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CCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3C)c(C)nn12

Basic Information

ChEMBL ID CHEMBL519339
Phase Preclinical
Structure Type MOL
InChI Key PJPVUAHUDDHUDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.66
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.60
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 C22H31N5O
MW 381.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.38 8.38 4.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19361210 10.1021/jm9000242 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine