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Compound Detail

CHEMBL303789

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CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cnn12

Basic Information

ChEMBL ID CHEMBL303789
Phase Preclinical
Structure Type MOL
InChI Key CAUGNRPMSVHRFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.3
MW (Da)
5.64
ALogP
4
HBA
0
HBD
33.4
PSA (Ų)
0.56
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 C19H22Cl2N4
MW 377.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.83

Activity Summary

Ki 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873487 10.1016/s0960-894x(98)00372-2 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine