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Compound Detail

CHEMBL303639

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CCCN(CCN(C)C)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12

Basic Information

ChEMBL ID CHEMBL303639
Phase Preclinical
Structure Type MOL
InChI Key WEQSXWDPPMOIEJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
4.42
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26Cl2N6
MW 421.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.47

Activity Summary

Ki 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.84 6.84 145.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12127521 10.1016/s0960-894x(02)00358-x Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine