Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8KFO2187CP

Structure

InChI Key KURQKNMKCGYWRJ-HNNXBMFYSA-N
Smile Cc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)o1
InChI
InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21N7O3
Molecular Weight 407.43
AlogP 2.12
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 127.0
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adenosine A2a receptor antagonist PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 1 D001289 ClinicalTrials
Parkinson Disease 1 D010300 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297184
DrugBank DB16125
FDA SRS 8KFO2187CP
Guide to Pharmacology 10190
PubChem 44537963
SureChEMBL SCHEMBL536782