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Compound Detail

CHEMBL95265

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CCc1nc2c(-c3ccc(OC)nc3C)ccnc2n1C(C)CC

Basic Information

ChEMBL ID CHEMBL95265
Phase Preclinical
Structure Type MOL
InChI Key KUJNOKJVFLAQAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.34
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4O
MW 324.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 8.04 8.04 9.2 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