Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 07YMO87363

Structure

InChI Key QDITZBLZQQZVEE-YBEGLDIGSA-N
Smile O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1
InChI
InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H11N3O2S
Molecular Weight 333.37
AlogP 3.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 71.95
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3544966
DrugBank DB11962
EPA CompTox DTXSID00242004
FDA SRS 07YMO87363
Guide to Pharmacology 9826
PubChem 23582824
SureChEMBL SCHEMBL1805557
ZINC ZINC000043176569