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Synonyms
Status
Molecule Category Free-form
UNII LF1VBG4ZUK
EPA CompTox DTXSID60196675

Structure

InChI Key LBWQSAZEYIZZCE-SNVBAGLBSA-N
Smiles CC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChI
InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24N6O
Molecular Weight 340.43
AlogP 3.33
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 77.23
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Corticotropin releasing factor receptor 1 antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Corticotropin releasing factor receptor Corticotropin releasing factor receptor
- 4.5-340 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4.5-340 - - -
Rattus norvegicus
- 6.1-129 - - -

Target Conservation

Protein: Corticotropin releasing factor receptor 1
Description: Corticotropin-releasing factor receptor 1
Organism : Homo sapiens
P34998 ENSG00000120088

Cross References

Resources Reference
ChEMBL CHEMBL482950
DrugBank DB12572
FDA SRS LF1VBG4ZUK
Guide to Pharmacology 10379
PubChem 9884366
SureChEMBL SCHEMBL5235999
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