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Compound Detail

CHEMBL334935

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Cc1nc(N(C)c2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1

Basic Information

ChEMBL ID CHEMBL334935
Phase Preclinical
Structure Type MOL
InChI Key BMNPZNUJVQUBFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.3
MW (Da)
5.48
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17Cl2N5
MW 398.30
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.60

Activity Summary

Ki 1 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.35 7.35 44.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10669572 10.1021/jm9904351 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine