Structure

InChI Key ROAIXOJGRFKICW-UHFFFAOYSA-N
Smile C1N2CN3CN1CN(C2)C3.O=C(O)CNC(=O)c1ccccc1
InChI
InChI=1S/C9H9NO3.C6H12N4/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5H,6H2,(H,10,13)(H,11,12);1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N5O3
Molecular Weight 319.37
AlogP -1.02
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 12.96
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
16.84
General disorders and administration site conditions
12.63
Investigations
11.58
Injury, poisoning and procedural complications
8.42
Respiratory, thoracic and mediastinal disorders
8.42
Nervous system disorders
7.37
Skin and subcutaneous tissue disorders
7.37
Product issues
4.21
Infections and infestations
3.16
Psychiatric disorders
3.16
Vascular disorders
3.16
Cardiac disorders
2.11
Eye disorders
2.11
Metabolism and nutrition disorders
2.11
Musculoskeletal and connective tissue disorders
2.11
Surgical and medical procedures
2.11

Cross References

Resources Reference
ChEBI 6825
ChEMBL CHEMBL1201104
FDA SRS M329791L57
KEGG C01586
PubChem 21945
SureChEMBL SCHEMBL3029
ZINC ZINC00097685