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Compound Detail

CHEMBL181823

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CCc1nc2n(c1C(=O)N(CCC1CC1)CCC(F)(F)F)CCN2c1c(C)cc(C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181823
Phase Preclinical
Structure Type MOL
InChI Key ZAKLRUGAEMFPTQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
5.72
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.50
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 C25H33F3N4O
MW 462.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
 Ki 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 Ki = 650.0 nM 6.19 Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor rece... 15990298

Literature References

PubMed DOI Target Context # Activities
15990298 10.1016/j.bmcl.2005.05.117 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine