Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D06AX14
UNII: V0LH498RFO

Structure

InChI Key XPIJWUTXQAGSLK-UHFFFAOYSA-N
Smile CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C
InChI
InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21N3O3
Molecular Weight 363.42
AlogP 3.76
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 84.22
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA gyrase inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Impetigo 4 D007169 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
20.0
General disorders and administration site conditions
20.0
Immune system disorders
20.0
Skin and subcutaneous tissue disorders
20.0
Surgical and medical procedures
20.0

Cross References

Resources Reference
CAS NUMBER 245765-41-7
ChEBI 136050
ChEMBL CHEMBL3990047
DrugBank DB12924
DrugCentral 5058
FDA SRS V0LH498RFO
Guide to Pharmacology 10841
PubChem 9863827
SureChEMBL SCHEMBL1711829
ZINC ZINC000001483896