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Compound Detail

CHEMBL354584

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CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2Cl)n1

Basic Information

ChEMBL ID CHEMBL354584
Phase Preclinical
Structure Type MOL
InChI Key FKDBXJHUAYIUEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
5.10
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.67
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 C18H24Cl2N4O
MW 383.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.06

Activity Summary

Ki 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10072679 10.1021/jm980222w Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine