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Compound Detail

CHEMBL355689

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CCCC(CCC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355689
Phase Preclinical
Structure Type MOL
InChI Key MGRCDMXDKKALGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
4.82
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.65
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 C21H30N6
MW 366.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
 Ki 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 Ki = 4.0 nM 8.4 Binding affinity to recombinant human Corticotropin releasing factor receptor 1 ... 10072681

Literature References

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

Data from ChEMBL 36 via Core Engine