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Compound Detail

CHEMBL362305

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CCCN(CCC)c1cc(C)nc2c(-c3ccc(C)nc3)c(C)nn12

Basic Information

ChEMBL ID CHEMBL362305
Phase Preclinical
Structure Type MOL
InChI Key CJUMKBYLDDALRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
4.34
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5
MW 337.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.47

Activity Summary

Ki 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.68 7.68 21.0 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