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Ingredients

(3z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1h-pteridin-7-ylidene)-2-oxopropanoic acid

C9H7N5O5

Entity Type
Ingredients
Relation Groups
2
Relation Preview
7

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1h-pteridin-7-ylidene)-2-oxopropanoic acid
Molecular Formula
C9H7N5O5
Molecular Weight
No data
Canonical SMILES
C(=C1C(=O)NC2=C(N1)NC(=NC2=O)N)C(=O)C(=O)O
Isomeric SMILES
C(=C\1/C(=O)NC2=C(N1)NC(=NC2=O)N)\C(=O)C(=O)O
InChI
InChI=1S/C9H7N5O5/c10-9-13-5-4(7(17)14-9)12-6(16)2(11-5)1-3(15)8(18)19/h1H,(H,12,16)(H,18,19)(H4,10,11,13,14,17)/b2-1-
Oral Bioavailability
10.655
Drug Likeness
0.310
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target4 Targets
03
PNP
purine nucleoside phosphorylase
purine nucleoside phosphorylase
04
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2