All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

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

Stem definition	Drug id	CAS RN
	3611	51-24-1

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: tiratricol triacana	Molecular weight: 621.94 Formula: C14H9I3O4 CLOGP: 5.30 LIPINSKI: 2 HAC: 4 HDO: 2 TPSA: 66.76 ALOGS: -5.06 ROTB: 4

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	2.344		Moderate	0.67
caco2-efflux	Caco-2 efflux ratio (BA/AB)	1.140		Moderate	0.67
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	115.611	10^-6 cm/s	Moderate	0.67
dh-clint	Dog hepatocyte intrinsic clearance	15.031	uL/min/10^6 cells	Moderate	0.67
dppb	Dog plasma protein binding (% unbound)	0.170	%	Moderate	0.67
fcs-ppb	Fetal calf serum protein binding (% unbound)	0.280	%	Moderate	0.67
herg	hERG pIC50	4.575	pIC50	Moderate	0.67
hh-clint	Human hepatocyte intrinsic clearance	13.032	uL/min/10^6 cells	Moderate	0.67
hlm-clint	Human liver microsomal intrinsic clearance	7.211	uL/min/mg protein	Moderate	0.67
hppb	Human plasma protein binding (% unbound)	0.480	%	Moderate	0.67
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ZAP70	66
kinase-selectivity-class	ACVR2A,ACVR2B,AURKA,AURKB,AURKC,AXL,BRAF,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT4,GRK2,GSK3A,GSK3B,JAK2,KIT,MAP2K3,MAP2K6,MAP3K21,MAP4K1,MAPK1,MAPK12,MAPK7,MAPK8,PDK4,PIK3CB,PIK3CD,PIK3CG,PRKDC,SIK2,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1	42
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	8.531		Moderate	0.67
mh-clint	Mouse hepatocyte intrinsic clearance	61.944		Moderate	0.67
mppb	Mouse plasma protein binding (% unbound)	0.270		Moderate	0.67
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	2.128		Moderate	0.67
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	0.200	%	Moderate	0.67
rh-clint	Rat hepatocyte intrinsic clearance	44.157	uL/min/10^6 cells	Moderate	0.67
rh-fuinc	Rat hepatocyte fraction unbound in incubation	12.530	%	Moderate	0.67
rppb	Rat plasma protein binding (% unbound)	0.100	%	Moderate	0.67
solubility-dd	Solubility at pH 7.4 in DMSO	371.535	uM	Moderate	0.67

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	D11AX08	DERMATOLOGICALS OTHER DERMATOLOGICAL PREPARATIONS OTHER DERMATOLOGICAL PREPARATIONS Other dermatologicals
ATC	H03AA04	SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS THYROID THERAPY THYROID PREPARATIONS Thyroid hormones
CHEBI has role	CHEBI:22587	antiviral agent
CHEBI has role	CHEBI:50733	nutraceutical
CHEBI has role	CHEBI:60311	thyroid hormone
CHEBI has role	CHEBI:74518	anti-obesity agent
CHEBI has role	CHEBI:77103	EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor
CHEBI has role	CHEBI:77746	human metabolite

Related Drugs by ATC class:

D11AX Other dermatologicals 20 drugs

aminobenzoic acidbrimonidinecaffeinecalcium gluconatedeoxycholic aciddiclofenaceflornithinefinasteridegamolenic acidhydrogen peroxidehydroquinoneivermectin show all 20 →

H03AA Thyroid hormones 2 drugs

levothyroxineliothyronine

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

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	3.95	acidic
pKa2	8.29	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
Thyroid hormone receptor beta	Nuclear hormone receptor	P10828	THB_HUMAN		IC50	10.39		CHEMBL
Thyroid hormone receptor alpha	Nuclear hormone receptor	P10827	THA_HUMAN		IC50	9.85		CHEMBL
Androgen receptor	Nuclear hormone receptor	P10275	ANDR_HUMAN		IC50	4.46		CHEMBL
Peroxisome proliferator-activated receptor gamma	Nuclear hormone receptor	P37231	PPARG_HUMAN		Kd	6.70		CHEMBL
Retinoic acid receptor RXR-alpha	Nuclear hormone receptor	P19793	RXRA_HUMAN		Kd	5.88		CHEMBL
Proliferating cell nuclear antigen	Nuclear other	P12004	PCNA_HUMAN		IC50	4.60		CHEMBL
Sodium/bile acid cotransporter	Transporter	Q14973	NTCP_HUMAN		IC50	5.16		CHEMBL
Thyroid hormone receptor beta	Transcription factor		THB_RAT		IC50	9.82		CHEMBL

External reference:

ID	Source
D07214	KEGG_DRUG
C0046882	UMLSCUI
CHEBI:40021	CHEBI
CHEMBL41632	ChEMBL_ID
DB03604	DRUGBANK_ID
2637	IUPHAR_LIGAND_ID
C010642	MESH_SUPPLEMENTAL_RECORD_UI
4368	INN_ID
29OQ9EU4R1	UNII
5803	PUBCHEM_CID
13982	RXNORM
005357	NDDF
3066001	SNOMEDCT_US
703716002	SNOMEDCT_US
4HY	PDB_CHEM_ID
29OQ9EU4R1	INXIGHT DRUGS

Pharmaceutical products:

None