TRIAPINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U4XIL4091C

Structure
InChI Key XMYKNCNAZKMVQN-NYYWCZLTSA-N
Smile NC(=S)N/N=C/c1ncccc1N
InChI
InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N5S
Molecular Weight 195.25
AlogP -0.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 89.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Ribonucleotide reductase inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 185 - - -
Unclassified protein
- 9078 - 388 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Gallbladder Neoplasms 2 D005706 ClinicalTrials
Neuroendocrine Tumors 1 D018358 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 143621-35-6
ChEMBL CHEMBL231616
DrugBank DB11940
EPA CompTox DTXSID90893923
FDA SRS U4XIL4091C
PharmGKB PA165858618
SureChEMBL SCHEMBL29370
ZINC ZINC000006092213
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