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Compound Detail

CHEMBL164206

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CCCN(CC1CC1)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C

Basic Information

ChEMBL ID CHEMBL164206
Phase Preclinical
Structure Type MOL
InChI Key BUUZKUBXYMPJOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.6
MW (Da)
5.90
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34N4
MW 390.58
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
Ki 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10782669 10.1016/s0960-894x(00)00071-8 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine