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Compound Detail

CHEMBL66719

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CCCN(CCC)c1[nH]c(C)nc2c(-c3c(C)cc(C)cc3C)nnc1-2

Basic Information

ChEMBL ID CHEMBL66719
Phase Preclinical
Structure Type MOL
InChI Key YPOLAVSCFHPDKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
4.83
ALogP
4
HBA
1
HBD
57.7
PSA (Ų)
0.69
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 C21H29N5
MW 351.50
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.77

Activity Summary

Ki 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.8 7.8 16.0 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