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Compound Detail

CHEMBL451660

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CCC(CC)Nc1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC

Basic Information

ChEMBL ID CHEMBL451660
Phase Preclinical
Structure Type MOL
InChI Key SDZSSUWZKPCITE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.5
MW (Da)
4.69
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.79
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 C20H29N3O2
MW 343.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.03 7.03 94.0 1

Activity Data Samples

Top measurements by pChEMBL value

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