Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL474288

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12

Basic Information

ChEMBL ID CHEMBL474288
Phase Preclinical
Structure Type MOL
InChI Key LBWQSAZEYIZZCE-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.33
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H24N6O
MW 340.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.15 8.15 7.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 311.94 ng.hr.mL-1 Canis lupus familiaris
Cmax 168.3 nM Canis lupus familiaris
T1/2 7.9 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19361209 10.1021/jm900025h Canis familiaris 3
19361209 10.1021/jm900025h Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine