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Compound Detail

CHEMBL49217

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CCNc1nc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C

Basic Information

ChEMBL ID CHEMBL49217
Phase Preclinical
Structure Type MOL
InChI Key FAAIIAUSFGLRLR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
4.39
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4
MW 308.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 6.21 6.21 620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9171885 10.1021/jm960861b Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine