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Compound Detail

CHEMBL175536

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CCCN(c1n[nH]c(-c2ccc(Cl)cc2Cl)n1)C(C1CC1)C1CC1

Basic Information

ChEMBL ID CHEMBL175536
Phase Preclinical
Structure Type MOL
InChI Key VCNREQRITYDERC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
5.18
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.74
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 C18H22Cl2N4
MW 365.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.33

Activity Summary

Ki 2 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.62 5.485 2400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11720866 10.1016/s0960-894x(01)00657-6 Corticotropin-releasing factor receptor 1 1
15743196 10.1021/jm049339c Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine