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Compound Detail

CHEMBL1806727

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CCCN(CCC)c1c(C)ncc2c(-c3ccc(Cl)cc3Cl)cccc12

Basic Information

ChEMBL ID CHEMBL1806727
Phase Preclinical
Structure Type MOL
InChI Key OYZDKZNPRWAENE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 -1.06

Activity Summary

Ki 1 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.99 6.99 103.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 Ki = 103.0 nM 6.99 Antagonist activity at human CRF-1 receptor 21618986

Literature References

PubMed DOI Target Context # Activities
21618986 10.1021/jm200365y Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine