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Compound Detail

CHEMBL432800

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CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12

Basic Information

ChEMBL ID CHEMBL432800
Phase Preclinical
Structure Type MOL
InChI Key SUYDJIHTAHBJRR-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
7.14
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.45
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 C22H24Cl2N2
MW 387.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.26

Activity Summary

Ki 3 meas. best 9.05
IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 9.05 9.05 0.9 3
Corticotropin-releasing factor receptor 1
CHEMBL1800
IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12951129 10.1016/s0960-894x(03)00684-x Corticotropin-releasing factor receptor 1 2
18180159 10.1016/j.bmcl.2007.12.050 Corticotropin-releasing factor receptor 1 1
21618986 10.1021/jm200365y Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine