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]
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) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 10
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
CHEMBL4066936
CAS Number
1350653-20-1
UNII
LV66ADM269
DrugBank ID
DB15456
TTD ID
D06ZEO
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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