Structure

InChI Key WISNYKIQFMKSDQ-UHFFFAOYSA-N
Smile Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12.[Na+]
InChI
InChI=1S/C9H6N7O2S.Na/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8;/h2-4H,1H3;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6N7NaO2S
Molecular Weight 299.25
AlogP 1.15
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 115.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Amidophosphoribosyltransferase inhibitor PubMed

Metabolites

visNetwork

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
11.33
Immune system disorders
10.55
Skin and subcutaneous tissue disorders
10.55
Hepatobiliary disorders
9.57
Vascular disorders
8.98
Blood and lymphatic system disorders
6.45
Infections and infestations
6.45
Gastrointestinal disorders
6.25
Nervous system disorders
4.69
General disorders and administration site conditions
4.1
Investigations
3.71
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.73
Respiratory, thoracic and mediastinal disorders
2.73
Renal and urinary disorders
2.54

Cross References

Resources Reference
ChEMBL CHEMBL1200400
FDA SRS AM94R510MS
PubChem 11529527