VOXTALISIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CVL1685GPH

Structure
InChI Key RGHYDLZMTYDBDT-UHFFFAOYSA-N
Smile CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21
InChI
InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14N6O
Molecular Weight 270.3
AlogP 1.09
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 102.48
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 157-157 - - -
Enzyme Transferase
- 39-39 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 2 D008223 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lymphoma, Mantle-Cell 1 D020522 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Glioma 1 D005910 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Cross References

Resources Reference
ChEBI 124914
ChEMBL CHEMBL3545366
DrugBank DB12400
FDA SRS CVL1685GPH
PubChem 16123056
SureChEMBL SCHEMBL189573
ZINC ZINC000035308805
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