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Compound Detail

CHEMBL309789

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CCCN(CC1CC1)c1nc(C)nc(Nc2c(OC)cc(OC)cc2OC)n1

Basic Information

ChEMBL ID CHEMBL309789
Phase Preclinical
Structure Type MOL
InChI Key QJUPTGZVGBXQDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
3.58
ALogP
8
HBA
1
HBD
81.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N5O3
MW 387.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.95

Activity Summary

Ki 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine