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

Stem definition	Drug id	CAS RN
	3574	73384-60-8

Description:

Molecule

Description

Molfile Inchi Smiles

Synonyms:

sulmazol
isomazole
sulmazole
vardax
AR-L 115 BS

Molecular weight: 287.34
Formula: C14H13N3O2S
CLOGP: 1.01
LIPINSKI: 0
HAC: 5
HDO: 1
TPSA: 67.87
ALOGS: -2.53
ROTB: 3

Drug dosage:

None

ADMET properties:

Property	Value	Reference
Vd (Volume of distribution)	0.62 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	10 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.41 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	0.80 hours	Lombardo F, Berellini G, Obach RS
Vd (Volume of distribution)	1.67 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	20.70 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.48 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	1.20 hours	Lombardo F, Berellini G, Obach RS
S (Water solubility)	1.25 mg/mL	Bocci G, Oprea TI, Benet LZ
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Bocci G, Oprea TI, Benet LZ

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKB,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK14,CDK16,CDK19,CDK2,CDK3,CDK5,CDK6,CDK7,CDK9,CHEK1,CLK2,CLK4,CSF1R,DDR1,DYRK1A,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,GSK3A,GSK3B,HASPIN,IKBKB,IRAK1,IRAK3,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K21,MAP3K7,MAP3K9,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK7,MAPK9,MARK4,MELK,MET,MINK1,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,ROCK1,SGK1,SIK2,SIK3,STK33,SYK,TEK,TNIK,TTK,TYRO3,ULK1,ULK2	87
kinase-selectivity-class	AAK1,ACVR2A,ACVR2B,AURKA,AURKB,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK2,CDK9,CLK4,DDR1,DYRK1A,DYRK1B,FLT3,GRK2,GSK3B,IRAK1,JAK1,MAP2K3,MAP3K10,MAP3K11,MAP3K21,MAP4K1,MAPK7,MARK4,PRKDC,SIK2,SIK3,STK33,SYK,TTK,ULK1	35
pfas-class	PFAS structural alert (1 = True, 0 = False)	0

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
MeSH PA	D002316	Cardiotonic Agents
MeSH PA	D002317	Cardiovascular Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D010726	Phosphodiesterase Inhibitors
MeSH PA	D020011	Protective Agents
CHEBI has role	CHEBI:38147	cardiotonic drug
CHEBI has role	CHEBI:50218	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
CHEBI has role	CHEBI:63957	adenosine A<small><sub>1</sub></small> receptor antagonist

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	11.72	acidic
pKa2	4.6	Basic
pKa3	1.29	Basic

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
cGMP-specific 3',5'-cyclic phosphodiesterase	Enzyme	O76074	PDE5A_HUMAN		IC50	4.68		CHEMBL
Phosphodiesterase 3	Enzyme	Q13370 Q14432	PDE3B_HUMAN PDE3A_HUMAN		IC50	4.30		CHEMBL

External reference:

ID	Source
86315-52-8	SECONDARY_CAS_RN
C0075619	UMLSCUI
CHEBI:34988	CHEBI
CHEMBL286020	ChEMBL_ID
CHEMBL2110680	ChEMBL_ID
C029758	MESH_SUPPLEMENTAL_RECORD_UI
5353	PUBCHEM_CID
4925	INN_ID
HK56EH9K44	UNII
5839	INN_ID
HK56EH9K44	INXIGHT DRUGS

Pharmaceutical products:

None