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Compound Detail

CHEMBL307871

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CCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1

Basic Information

ChEMBL ID CHEMBL307871
Phase Preclinical
Structure Type MOL
InChI Key RWQKBFUNMYSJSR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
4.88
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.68
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 C22H27N5
MW 361.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.40

Activity Summary

Ki 2 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.83 5.83 1470.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8893828 10.1021/jm960148m Corticotropin-releasing factor receptor 1 1
10395475 10.1021/jm9900117 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine