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Compound Detail

CHEMBL355721

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CCCCN(CC)c1nc(C)nc2c1ncn2-c1c(Cl)cc(OC)cc1OC

Basic Information

ChEMBL ID CHEMBL355721
Phase Preclinical
Structure Type MOL
InChI Key ONURHJKRLLGMBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.9
MW (Da)
4.42
ALogP
7
HBA
0
HBD
65.3
PSA (Ų)
0.55
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 C20H26ClN5O2
MW 403.91
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.28 8.28 5.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10072681 10.1021/jm980224g Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine