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Compound Detail

CHEMBL361670

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COCC(Cc1ccccc1)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12

Basic Information

ChEMBL ID CHEMBL361670
Phase Preclinical
Structure Type MOL
InChI Key JWBCFGCTAKNTSW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
4.45
ALogP
7
HBA
1
HBD
67.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N6O
MW 444.58
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.19 8.19 6.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341493 10.1021/jm040058e Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine