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Compound Detail

CHEMBL23112

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CCC(CCOC)n1c(C2CC2)nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc21

Basic Information

ChEMBL ID CHEMBL23112
Phase Preclinical
Structure Type MOL
InChI Key VBWGHTWPMPCHNN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.9
MW (Da)
6.64
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClF3N3O
MW 437.89
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.01

Activity Summary

Ki 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 7.68 7.68 20.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12467631 10.1016/s0960-894x(02)00833-8 Corticotropin releasing factor receptor 1

Data from ChEMBL 36 via Core Engine