DrugMapper


Trade Names:	DIFICID
Synonyms:	DIFICID DIFICLIR FIDAXOMICINA FIDAXOMICINE OPT-80 PAR-101
Status:	Approved (2011)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	A07AA12
UNII:	Z5N076G8YQ


InChI Key	ZVGNESXIJDCBKN-UUEYKCAUSA-N
Smile	CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C
InChI	InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C52H74Cl2O18
Molecular Weight	1058.05
AlogP	None
Hydrogen Bond Acceptor	None
Hydrogen Bond Donor	None
Number of Rotational Bond	None
Polar Surface Area	None
Molecular species	None
Aromatic Rings	None
Heavy Atoms	None

Action	Mechanism of Action	Reference
INHIBITOR	DNA-directed RNA polymerase inhibitor

Mesh Heading	Maximum Phase	Mesh ID	Reference
Diarrhea	4	D003967	ClinicalTrials
Clostridium Infections	4	D003015	ClinicalTrials
Infections	4	D007239	ClinicalTrials

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Side Effects from Label

Side Effects (PT)

Side effects	Relative Frequency (%)	Labels
Gastrointestinal disorders Nausea	11.3
Gastrointestinal disorders Nausea	11.0
Gastrointestinal disorders Vomiting	7.27
Gastrointestinal disorders Vomiting	7.0
Gastrointestinal disorders Vomiting	6.35
Gastrointestinal disorders Abdominal pain	6.0
Gastrointestinal disorders Gastrointestinal pain	6.0
Gastrointestinal disorders Abdominal pain	5.85
Gastrointestinal disorders Gastrointestinal pain	5.85
Gastrointestinal disorders Gastrointestinal haemorrhage	4.0
Gastrointestinal disorders Abdominal pain	3.95
Gastrointestinal disorders Gastrointestinal pain	3.95
Gastrointestinal disorders Gastrointestinal haemorrhage	3.55
Gastrointestinal disorders Nausea	2.7
Blood and lymphatic system disorders Anaemia	2.48
Blood and lymphatic system disorders Neutropenia	2.48
Blood and lymphatic system disorders Anaemia	2.06
Gastrointestinal disorders Gastrointestinal haemorrhage	2.06
Blood and lymphatic system disorders Anaemia	2.0
Blood and lymphatic system disorders Neutropenia	2.0
Gastrointestinal disorders Constipation	1.2
Gastrointestinal disorders Vomiting	1.2
Blood and lymphatic system disorders Neutropenia	1.03

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
General disorders and administration site conditions	25.03
Gastrointestinal disorders	24.47
Infections and infestations	14.34
Injury, poisoning and procedural complications	4.78
Investigations	4.45
Skin and subcutaneous tissue disorders	3.4
Nervous system disorders	3.36
Respiratory, thoracic and mediastinal disorders	2.73
Vascular disorders	2.2
Cardiac disorders	2.13
Musculoskeletal and connective tissue disorders	2.05

Cross References

Resources	Reference
CAS NUMBER	873857-62-6
ChEMBL	CHEMBL1255800
DrugBank	DB08874
DrugCentral	4180
FDA SRS	Z5N076G8YQ
Guide to Pharmacology	10909
PDB	FI8
PubChem	10034073
SureChEMBL	SCHEMBL10000818

FIDAXOMICIN

Structure

Physicochemical Descriptors

Pharmacology

Indications

Related Entries

Scaffolds

Side Effects from Label

Adverse Reactions

Cross References


Active Pharmaceutical Ingredients (APIs) Scaffolds	Exact Similarity SubStructure	Threshold (%) >= 70