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Compound Detail

CHEMBL99151

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CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1C(CC)CCOC

Basic Information

ChEMBL ID CHEMBL99151
Phase Preclinical
Structure Type MOL
InChI Key UHKDJZXIGPFTOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
5.07
ALogP
6
HBA
0
HBD
62.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25F3N4O2
MW 422.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.98

Activity Summary

Ki 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 8.8 8.8 1.6 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