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Compound Detail

CHEMBL484419

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COc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1

Basic Information

ChEMBL ID CHEMBL484419
Phase Preclinical
Structure Type MOL
InChI Key LMJYQQWNJXNUES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.70
ALogP
7
HBA
1
HBD
73.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N5O2
MW 367.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 7.76 7.76 17.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19361210 10.1021/jm9000242 Canis familiaris 2
19361210 10.1021/jm9000242 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine