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Compound Detail

CHEMBL4066936

VERICIGUAT
💊 Approved Drug
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💊 Approved Drug
COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066936
Name VERICIGUAT
Phase Approved
Structure Type MOL
InChI Key QZFHIXARHDBPBY-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

BAY 1021189 BAY-1021189 MK-1242 Vericiguat Verquvo
4
Targets
10
Activities
2
Assay Types
7
PK Parameters
17
Publications
5
Known Names
3
Indications
1
Mechanisms

Molecular Properties

426.4
MW (Da)
2.56
ALogP
9
HBA
3
HBD
146.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2021
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning First in Class
USAN Stem -ciguat
USAN Year 2019

Extended Properties

Molecular Formula C19H16F2N8O2
MW 426.39
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.66

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Soluble guanylate cyclase activator ACTIVATOR Soluble guanylate cyclase ✓ ✓

Indications

Cardiovascular Diseases Heart Failure Coronary Disease

ATC Classification

C01DX22
vericiguat
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY

Drug Warnings

Black Box Warning
teratogenicity
Country: United States

Activity Summary

IC50 6 meas. best 8.25
EC50 4 meas. best 7.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Saphenous artery
CHEMBL4845615
 IC50 8.25 7.53 5.6 3
Unchecked
CHEMBL612545
 EC50 7.97 6.9925 10.6 4
Aorta
CHEMBL4651286
 IC50 6.16 6.16 692.0 1
Artery
CHEMBL613433
 IC50 6.02 6.02 956.0 1
Unchecked
CHEMBL612545
 IC50 5.51 5.51 3072.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 3.333 mL.min-1.kg-1 Canis lupus familiaris
CL 5.0 mL.min-1.kg-1 Rattus norvegicus
CL 1.667 mL.min-1.kg-1 Rattus norvegicus
F 75.0 % Canis lupus familiaris
F 65.0 % Rattus norvegicus
T1/2 6.2 hr Canis lupus familiaris
T1/2 3.4 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Saphenous artery IC50 = 5.6 nM 8.25 Vasorelaxant activity in normal Chinchilla rabbit saphenous artery ring administ... 28557445
Saphenous artery IC50 = 5.8 nM 8.24 Vasorelaxant activity in nirate-tolerant Chinchilla rabbit saphenous artery ring... 28557445
Unchecked EC50 = 10.6 nM 7.97 Stimulation of rat sGC expressed in CHO cells using GTP as substrate assessed as... 28557445
Unchecked EC50 = 39.0 nM 7.41 Stimulation of rat sGC expressed in CHO cells using GTP as substrate assessed as... 28557445
Unchecked EC50 = 256.0 nM 6.59 Stimulation of rat sGC expressed in CHO cells using GTP as substrate assessed as... 28557445
Aorta IC50 = 692.0 nM 6.16 Inhibition of phenylephrine-induced contractions in Chinchilla rabbit aortic rin... 28557445
Saphenous artery IC50 = 798.0 nM 6.1 Inhibition of phenylephrine-induced contractions in Chinchilla rabbit saphenous ... 28557445
Artery IC50 = 956.0 nM 6.02 Inhibition of U46619-induced contractions in porcine coronary artery rings 28557445
Unchecked EC50 = 1005.0 nM 6.0 Stimulation of rat sGC expressed in CHO cells using GTP as substrate assessed as... 28557445
Unchecked IC50 = 3072.0 nM 5.51 Inhibition of phenylephrine-induced contractions in dog femoral vein after 15 to... 28557445

Literature References

PubMed DOI Target Context # Activities
28557445 10.1021/acs.jmedchem.7b00449 Rattus norvegicus 14
28557445 10.1021/acs.jmedchem.7b00449 Unchecked 10
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 3A4 4
28557445 10.1021/acs.jmedchem.7b00449 Heart 4
28557445 10.1021/acs.jmedchem.7b00449 Canis familiaris 4
28557445 10.1021/acs.jmedchem.7b00449 Saphenous artery 3
28557445 10.1021/acs.jmedchem.7b00449 Artery 1
28557445 10.1021/acs.jmedchem.7b00449 Guanylate cyclase soluble subunit alpha-1 1
28557445 10.1021/acs.jmedchem.7b00449 Aorta 1
28557445 10.1021/acs.jmedchem.7b00449 ADMET 1
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 1A2 1
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 2A6 1
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 2B6 1
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 2C8 1
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 2C9 1
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 2C19 1
28557445 10.1021/acs.jmedchem.7b00449 Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine