TETRAHYDROURIDINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0NIZ8H6OL8

Structure
InChI Key UCKYOOZPSJFJIZ-FMDGEEDCSA-N
Smile O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N2O6
Molecular Weight 248.24
AlogP -2.84
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 122.49
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 340 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Anemia, Sickle Cell 1 D000755 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Lymphoma, Non-Hodgkin 0 D008228 ClinicalTrials
Lymphoma, Follicular 0 D008224 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 18771-50-1
ChEMBL CHEMBL1236475
FDA SRS 0NIZ8H6OL8
PDB TYU
PubChem 29243
SureChEMBL SCHEMBL172272
ZINC ZINC000001703948
CONTENTS