ZEBULARINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H12N2O5
Molecular Weight	228.202
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=NC2=O

InChI

InChIKey=RPQZTTQVRYEKCR-WCTZXXKLSA-N

InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C9H12N2O5
Molecular Weight	228.202
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Cytidine deaminase 5 Target ID: CHEMBL2110 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18398609	Inhibitor 8297	0.95 µM [Ki]
DNA (cytosine-5)-methyltransferase 1 10 Target ID: CHEMBL1993 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20808780	Inhibitor 8297
DNA (cytosine-5)-methyltransferase 3A 3 Target ID: CHEMBL3108652 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20808780	Inhibitor 8297
DNA methyltransferase 1 Target ID: DNA methyltransferase Sources: https://www.ncbi.nlm.nih.gov/pubmed/12206775	Inhibitor 8297
Cytidine deaminase 5 Target ID: CHEMBL4502 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18398609	Inhibitor 8297	2.0 µM [Ki]
Adenosine deaminase 13 Target ID: CHEMBL3206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3735306	Inhibitor 8297	1.0 µM [Ki]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:12:08 UTC 2023` Edited by `admin` on `Fri Dec 15 18:12:08 UTC 2023`
Record UNII	7A9Y5SX0GY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZEBULARINE

Common Name

English

NSC-309132

Code

English

2(1H)-PYRIMIDINONE, 1-.BETA.-D-RIBOFURANOSYL-

Systematic Name

English

1-(.BETA.-D-RIBOFURANOSYL)-2-PYRIMIDONE

Systematic Name

English

URIDINE, 4-DEOXY-

Common Name

English

PYRIMIDIN-2-ONE BETA-RIBOFURANOSIDE

Common Name

English

1-.BETA.-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE

Systematic Name

English

4-DEOXYURIDINE

Common Name

English

PYRIMIDIN-2-ONE .BETA.-D-RIBOFURANOSIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2083