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Compound Detail

CHEMBL527030

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CCCOc1nc(-c2c(C)cc(C)cc2OC)nc(C)c1N(CCC)CCC

Basic Information

ChEMBL ID CHEMBL527030
Phase Preclinical
Structure Type MOL
InChI Key UIQLERLSZIBGJV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.6
MW (Da)
5.49
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35N3O2
MW 385.55
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.83

Activity Summary

Ki 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.28 7.28 53.0 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