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Compound Detail

CHEMBL519677

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CC[C@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519677
Phase Preclinical
Structure Type MOL
InChI Key OGTPHDYRZSEDNM-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
3.94
ALogP
7
HBA
1
HBD
73.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5O2
MW 369.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
 IC50 8.54 8.54 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 IC50 = 2.9 nM 8.54 Displacement of [125I]Tyr0-ovine CRF from CRF1 receptor in rat cortical membrane... 19361210

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