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Compound Detail

CHEMBL604710

Z160
🧪 Phase II
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🧪 Phase II
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL604710
Name Z160
Phase Phase II
Structure Type MOL
InChI Key VCPMZDWBEWTGNW-UHFFFAOYSA-N

Known Names

MK-6721 MK6721 NMED-160 NP-118809 Z-160 Z160
6
Targets
6
Activities
1
Assay Types
11
PK Parameters
18
Publications
6
Known Names
2
Indications
1
Mechanisms

Molecular Properties

460.6
MW (Da)
6.14
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C32H32N2O
MW 460.62
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.75

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Voltage-gated N-type calcium channel alpha-1B subunit blocker BLOCKER Voltage-dependent N-type calcium channel subunit alpha-1B

Indications

Neuralgia, Postherpetic Radiculopathy

Activity Summary

IC50 6 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1
CHEMBL3885653
IC50 6.96 6.96 110.0 1
N-type calcium channel alpha-1b/alpha2delta-1/beta-1b
CHEMBL4106160
IC50 6.96 6.96 110.0 1
Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b
CHEMBL3988638
IC50 4.91 4.91 12200.0 1
Unchecked
CHEMBL612545
IC50 4.91 4.91 12200.0 1
Voltage-dependent N-type calcium channel subunit alpha-1B
CHEMBL4478
IC50 4.41 4.41 39000.0 1
Voltage-dependent T-type calcium channel subunit alpha-1H
CHEMBL1859
IC50 4.35 4.35 45000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 715.0 ng.hr.mL-1 Rattus norvegicus
AUC 761.0 ng.hr.mL-1 Rattus norvegicus
AUC 999.0 ng.hr.mL-1 Rattus norvegicus
AUC 1136.0 ng.hr.mL-1 Rattus norvegicus
CL 45.5 mL.min-1.kg-1 Rattus norvegicus
Cmax 1673.83 nM Rattus norvegicus
Cmax 510.18 nM Rattus norvegicus
F 30.0 % Rattus norvegicus
T1/2 3.3 hr Rattus norvegicus
T1/2 2.1 hr Rattus norvegicus
Tmax 2.3 ng.hr/ml Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19815411 10.1016/j.bmcl.2009.09.008 Rattus norvegicus 14
19815411 10.1016/j.bmcl.2009.09.008 Unchecked 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19815411 10.1016/j.bmcl.2009.09.008 Voltage-gated inwardly rectifying potassium channel KCNH2 2
20117000 10.1016/j.bmcl.2010.01.008 Rattus norvegicus 2
- 10.6019/CHEMBL3301361 ADMET 2
19815411 10.1016/j.bmcl.2009.09.008 Mu-type opioid receptor 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
29622412 10.1016/j.bmc.2018.03.031 Voltage-dependent T-type calcium channel subunit alpha-1H 1
29622412 10.1016/j.bmc.2018.03.031 Voltage-dependent N-type calcium channel subunit alpha-1B 1
19815411 10.1016/j.bmcl.2009.09.008 Cannabinoid receptor 1 1
19815411 10.1016/j.bmcl.2009.09.008 Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1 1
20117000 10.1016/j.bmcl.2010.01.008 N-type calcium channel alpha-1b/alpha2delta-1/beta-1b 1
20117000 10.1016/j.bmcl.2010.01.008 Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b 1
20117000 10.1016/j.bmcl.2010.01.008 No relevant target 1

Data from ChEMBL 36 via Core Engine