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Compound Detail

CHEMBL97340

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CCc1nc2c(-c3ccc(OC)cc3C)ccnc2n1C(CC)C1CC1

Basic Information

ChEMBL ID CHEMBL97340
Phase Preclinical
Structure Type MOL
InChI Key FEHSXCRGIMTPQK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
5.34
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.60
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 C22H27N3O
MW 349.48
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.57

Activity Summary

Ki 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12482442 10.1016/s0960-894x(02)00835-1 Corticotropin releasing factor receptor 1

Data from ChEMBL 36 via Core Engine