Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
antifungal antibiotics	4357	166663-25-8

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: anidulafungin ecalta eraxis LY 303366 LY-303366	Echinocandin antifungal agent that is used in the treatment of CANDIDEMIA and CANDIDIASIS. Molecular weight: 1140.25 Formula: C58H73N7O17 CLOGP: 2.80 LIPINSKI: 3 HAC: 24 HDO: 14 TPSA: 377.42 ALOGS: -4.31 ROTB: 14 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

anidulafungin
ecalta
eraxis
LY 303366
LY-303366

Echinocandin antifungal agent that is used in the treatment of CANDIDEMIA and CANDIDIASIS.

Molecular weight: 1140.25
Formula: C58H73N7O17
CLOGP: 2.80
LIPINSKI: 3
HAC: 24
HDO: 14
TPSA: 377.42
ALOGS: -4.31
ROTB: 14

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
0.10	g	P

ADMET properties:

Property	Value	Reference
BDDCS (Biopharmaceutical Drug Disposition Classification System)	2	Benet LZ, Broccatelli F, Oprea TI
S (Water solubility)	0.05 mg/mL	Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine)	0.50 %	Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose)	6.30 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution)	0.57 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	0.21 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.16 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	40 hours	Lombardo F, Berellini G, Obach RS
BA (Bioavailability)	2 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	2.216		High	1
caco2-efflux	Caco-2 efflux ratio (BA/AB)	59.429		High	1
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	0.084	10^-6 cm/s	High	1
dh-clint	Dog hepatocyte intrinsic clearance	5.383	uL/min/10^6 cells	High	1
dppb	Dog plasma protein binding (% unbound)	1.780	%	High	1
fcs-ppb	Fetal calf serum protein binding (% unbound)	4.900	%	High	1
herg	hERG pIC50	4.374	pIC50	High	1
hh-clint	Human hepatocyte intrinsic clearance	4.365	uL/min/10^6 cells	High	1
hlm-clint	Human liver microsomal intrinsic clearance	4.227	uL/min/mg protein	High	1
hppb	Human plasma protein binding (% unbound)	1.370	%	High	1
kinase-safety-class	ACVR2B,EIF2AK3,GRK2,ITK,PDK1,PDK2,PDK4	7
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	5.082		High	1
mh-clint	Mouse hepatocyte intrinsic clearance	5.794		High	1
mppb	Mouse plasma protein binding (% unbound)	1.140		High	1
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	7.413		High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	2.380	%	High	1
rh-clint	Rat hepatocyte intrinsic clearance	5.272	uL/min/10^6 cells	High	1
rh-fuinc	Rat hepatocyte fraction unbound in incubation	4.880	%	High	1
rppb	Rat plasma protein binding (% unbound)	1.080	%	High	1
solubility-dd	Solubility at pH 7.4 in DMSO	2.649	uM	High	1

Approvals:

Date	Agency	Company	Orphan
Sept. 20, 2007	EMA
Feb. 17, 2006	FDA	VICURON

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Protothecosis	119.74	43.29	19	2457	452	90625519
Brain abscess	91.40	43.29	20	2456	2792	90623179
Multiple organ dysfunction syndrome	84.75	43.29	40	2436	68296	90557675
Pathogen resistance	79.46	43.29	22	2454	8093	90617878
Fusarium infection	78.52	43.29	15	2461	1067	90624904
Intracranial infection	71.22	43.29	11	2465	218	90625753
Systemic candida	70.21	43.29	18	2458	4941	90621030
Linear IgA disease	67.41	43.29	15	2461	2259	90623712
Sepsis	66.70	43.29	48	2428	179766	90446205
Staphylococcal bacteraemia	62.90	43.29	18	2458	7451	90618520
Drug ineffective	62.61	43.29	124	2352	1384174	89241797
Toxic epidermal necrolysis	59.43	43.29	25	2451	32503	90593468
Imprisonment	52.86	43.29	9	2467	333	90625638
Morganella infection	51.10	43.29	10	2466	806	90625165
Haemodynamic instability	50.87	43.29	17	2459	11722	90614249
Bacteraemia	50.51	43.29	20	2456	22280	90603691
Bacterial infection	49.54	43.29	20	2456	23424	90602547
Septic shock	49.51	43.29	30	2446	84130	90541841
Aspergillus infection	48.20	43.29	16	2460	10807	90615164
Drug resistance	47.72	43.29	21	2455	30428	90595543
Stevens-Johnson syndrome	45.19	43.29	20	2456	29356	90596615
Haemostasis	45.12	43.29	8	2468	376	90625595
Fluorosis	44.84	43.29	7	2469	149	90625822
Periostitis	43.47	43.29	8	2468	464	90625507

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Multiple organ dysfunction syndrome	180.30	37.17	101	2871	96934	42521429
Septic shock	126.92	37.17	79	2893	91593	42526770
Drug ineffective	119.51	37.17	179	2793	630018	41988345
Candida infection	106.28	37.17	44	2928	21566	42596797
Geotrichum infection	85.88	37.17	17	2955	560	42617803
Fungaemia	84.39	37.17	23	2949	3113	42615250
Scedosporium infection	79.29	37.17	19	2953	1539	42616824
Enterococcal infection	64.21	37.17	26	2946	12013	42606350
Aortoenteric fistula	59.86	37.17	10	2962	123	42618240
Sepsis	52.76	37.17	67	2905	199267	42419096
Drug resistance	48.44	37.17	30	2942	34218	42584145
Disseminated intravascular coagulation	46.30	37.17	26	2946	24768	42593595
Rectal perforation	45.65	37.17	10	2962	542	42617821
Pathogen resistance	42.08	37.17	19	2953	11431	42606932
Spinal cord disorder	40.15	37.17	10	2962	950	42617413
Functional gastrointestinal disorder	39.04	37.17	12	2960	2476	42615887
Haemodynamic instability	37.34	37.17	18	2954	12539	42605824
Systemic candida	37.24	37.17	14	2958	5305	42613058

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Multiple organ dysfunction syndrome	266.80	37.92	133	4985	151577	110432604
Septic shock	191.41	37.92	108	5010	157420	110426761
Drug ineffective	182.90	37.92	281	4837	1520259	109063922
Candida infection	143.63	37.92	61	5057	47948	110536233
Sepsis	118.15	37.92	107	5011	327239	110256942
Enterococcal infection	111.02	37.92	40	5078	20326	110563855
Protothecosis	106.51	37.92	19	5099	538	110583643
Systemic candida	104.20	37.92	32	5086	9942	110574239
Pathogen resistance	93.66	37.92	34	5084	17638	110566543
Fungaemia	87.49	37.92	25	5093	6061	110578120
Haemodynamic instability	85.11	37.92	34	5084	22854	110561327
Geotrichum infection	80.22	37.92	17	5101	1195	110582986
Scedosporium infection	78.39	37.92	19	5099	2439	110581742
Drug resistance	71.94	37.92	40	5078	56334	110527847
Periostitis	68.75	37.92	14	5104	809	110583372
Brain abscess	67.65	37.92	21	5097	6753	110577428
Aortoenteric fistula	62.16	37.92	10	5108	149	110584032
Intracranial infection	60.82	37.92	11	5107	337	110583844
Disseminated intravascular coagulation	57.38	37.92	31	5087	41255	110542926
Fusarium infection	56.58	37.92	15	5103	2756	110581425
Toxic epidermal necrolysis	53.25	37.92	33	5085	56694	110527487
Linear IgA disease	49.76	37.92	15	5103	4374	110579807
Staphylococcal bacteraemia	49.17	37.92	21	5097	16667	110567514
Immunosuppressant drug level increased	49.14	37.92	19	5099	11705	110572476
Aspergillus infection	46.44	37.92	23	5095	25593	110558588
Trichosporon infection	46.37	37.92	11	5107	1289	110582892
Morganella infection	45.72	37.92	11	5107	1368	110582813
Respiratory failure	44.05	37.92	52	5066	215280	110368901
Rectal perforation	43.45	37.92	10	5108	1027	110583154
Imprisonment	40.96	37.92	9	5109	750	110583431
Bacteraemia	40.64	37.92	25	5093	42365	110541816
Mucormycosis	40.23	37.92	16	5102	10612	110573569
Fungal endocarditis	40.09	37.92	9	5109	827	110583354
Fungal infection	38.89	37.92	26	5092	50780	110533401
Fluorosis	38.59	37.92	7	5111	218	110583963
Stevens-Johnson syndrome	38.32	37.92	25	5093	46876	110537305
Haemostasis	37.95	37.92	8	5110	548	110583633

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	J02AX06	ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOTICS FOR SYSTEMIC USE ANTIMYCOTICS FOR SYSTEMIC USE Other antimycotics for systemic use
FDA CS	M0519359	Lipopeptides
FDA EPC	N0000175507	Echinocandin Antifungal
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000935	Antifungal Agents

Related Drugs by ATC class:

J02AX Other antimycotics for systemic use 5 drugs

caspofungin flucytosine ibrexafungerp micafungin rezafungin

Drug Use | Suggest Off label Use Form| |View source of the data|

Disease	Relation	SNOMED_ID	DOID
Candidiasis of the esophagus	indication	20639004	DOID:13146
Disseminated candidiasis	indication	70572005
Candidemia	indication	432261003
Candida Peritonitis	indication
Intra-Abdominal Candida Abscess	indication
Oropharyngeal Candidiasis	off-label use
Liver function tests abnormal	contraindication	166603001
Disease of liver	contraindication	235856003	DOID:409

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	9.55	acidic
pKa2	11.98	acidic
pKa3	13.18	acidic
pKa4	13.53	acidic
pKa5	13.86	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Beta-1,3-glucan synthase catalytic subunit 1	Enzyme		O13428_CANAX	INHIBITOR	IC50	7.75		CHEMBL	CHEMBL

External reference:

ID	Source
4025092	VUID
N0000175344	NUI
D03211	KEGG_DRUG
4025092	VANDF
C1142738	UMLSCUI
CHEBI:55346	CHEBI
CHEMBL264241	ChEMBL_ID
DB00362	DRUGBANK_ID
7795	INN_ID
9HLM53094I	UNII
166548	PUBCHEM_CID
341018	RXNORM
21218	MMSL
80828	MMSL
d05767	MMSL
011233	NDDF
421904007	SNOMEDCT_US
422157006	SNOMEDCT_US
D000077612	MESH_DESCRIPTOR_UI

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
ERAXIS	HUMAN PRESCRIPTION DRUG LABEL	1	0049-0114	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	50 mg	INTRAVENOUS	NDA	31 sections
ERAXIS	HUMAN PRESCRIPTION DRUG LABEL	1	0049-0116	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	100 mg	INTRAVENOUS	NDA	31 sections
ERAXIS	HUMAN PRESCRIPTION DRUG LABEL	1	0049-2242	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	100 mg	INTRAVENOUS	NDA	29 sections

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anidulafungin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Related Drugs by ATC class:

Drug Use | Suggest Off label Use Form| |View source of the data|

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products: