Details of the Drug

General Information of Drug (ID: DM7MDBE)

Drug Name

Vericiguat

Synonyms

Vericiguat; 1350653-20-1; UNII-LV66ADM269; BAY-1021189; Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate; BAY1021189; LV66ADM269; MK-1242; Methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate; methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate; Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-5-yl)carbam

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Approved	[1]
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ATC Code

C01DX22: Vericiguat

C01DX: Other vasodilators used in cardiac diseases

C01D: VASODILATORS USED IN CARDIAC DISEASES

C01: CARDIAC THERAPY

C: CARDIOVASCULAR SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

426.4

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 1-6 mcg/L [2]
Absorption Tmax: The time to maximum plasma concentration (Tmax) is 40-90 min [2]
Bioavailability: The bioavailability of drug is 5% [2]
Clearance: The clearance of drug is 1.6 L/h in healthy volunteers [3]
Elimination: Following the oral administration of radiolabeled vericiguat, approximately 53% of the administered radioactivity was recovered in the urine and 45% in the feces [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 30 hours [3]
Metabolism: The drug is metabolized via phase II conjugation reactions [3]
Vd: The volume of distribution (Vd) of drug is 44 L [3]

Chemical Identifiers

Formula: C19H16F2N8O2
IUPAC Name: methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
Canonical SMILES: COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=C(C=N3)F)CC4=CC=CC=C4F)N
InChI: InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)
InChIKey: QZFHIXARHDBPBY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 54674461
ChEBI ID: CHEBI:142432
CAS Number: 1350653-20-1
UNII: LV66ADM269
DrugBank ID: DB15456
TTD ID: D06ZEO

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Soluble guanylyl cyclase (GUCY2D)	TTWNFC2	GUC2D_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
2	BuSpar? (buspirone HCl) FDA Label
3	FDA Approved Drug Products: Verquvo (vericiguat) oral tablets