FLUZOPARIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TWF0ML1CK8

Structure
InChI Key XJGXCBHXFWBOTN-UHFFFAOYSA-N
Smile O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1
InChI
InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H16F4N6O2
Molecular Weight 472.4
AlogP 2.92
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 96.77
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 1.46-10.2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Nasopharyngeal Carcinoma 2 D000077274 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Triple Negative Breast Neoplasms 2 D064726 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3930624
DrugBank DB15637
FDA SRS TWF0ML1CK8
PubChem 56649297
SureChEMBL SCHEMBL10025553
CONTENTS