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Compound Detail

CHEMBL293469

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CCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)cc3OC)n(C)nc12

Basic Information

ChEMBL ID CHEMBL293469
Phase Preclinical
Structure Type MOL
InChI Key VQUXTKFPDOEURK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.98
ALogP
7
HBA
0
HBD
65.3
PSA (Ų)
0.59
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 C21H29N5O2
MW 383.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.94

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12127521 10.1016/s0960-894x(02)00358-x Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine