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Compound Detail

CHEMBL127071

POZANICLINE
🧪 Phase II
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🧪 Phase II
Cc1ncccc1OC[C@@H]1CCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127071
Name POZANICLINE
Phase Phase II
Structure Type MOL
InChI Key YRVIKLBSVVNSHF-JTQLQIEISA-N

Known Names

A-87089.0 A-870890 ABT-089 Pozaniclina Pozanicline
5
Targets
8
Activities
2
Assay Types
3
PK Parameters
20
Publications
5
Known Names
3
Indications
2
Mechanisms

Molecular Properties

192.3
MW (Da)
1.52
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -nicline
USAN Year 2008

Extended Properties

Molecular Formula C11H16N2O
MW 192.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.15

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Nicotinic acetylcholine receptor alpha4/beta2/alpha5 partial agonist PARTIAL AGONIST Nicotinic acetylcholine receptor alpha4/beta2/alpha5 ✓ ✓
Neuronal acetylcholine receptor; alpha6/beta2 partial agonist PARTIAL AGONIST Neuronal acetylcholine receptor; alpha6/beta2 ✓ ✓

Indications

Alzheimer Disease Attention Deficit Disorder with Hyperactivity Tobacco Use Disorder

Activity Summary

Ki 5 meas. best 7.8
EC50 3 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907596
 Ki 7.8 7.6433 16.0 3
Neuronal acetylcholine receptor
CHEMBL2094110
 Ki 7.78 7.78 16.7 1
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907589
 Ki 7.58 7.58 26.0 1
Rattus norvegicus
CHEMBL376
 EC50 5.96 5.96 1100.0 1
Acetylcholine receptor subunit delta
CHEMBL3916
 EC50 4.52 4.52 30000.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 61.5 % Canis lupus familiaris
T1/2 24.0 hr Canis lupus familiaris
T1/2 1.6 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 16.0 nM 7.8 Displacement of [3H]cytisine from human nAChR alpha2beta4 receptor expressed in ... 21962147
Neuronal acetylcholine receptor Ki = 16.7 nM 7.78 Binding affinity value obtained by measuring the displacement of radioligand [3H... 9022806
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 19.0 nM 7.72 Affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat brain 9435889
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 26.0 nM 7.58 Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cel... 32026697
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 39.0 nM 7.41 In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 ... 11741488
Rattus norvegicus EC50 = 1100.0 nM 5.96 Compound was evaluated for functional potencies and efficacies at rat nAChR subt... 9435889
Acetylcholine receptor subunit delta EC50 = 30000.0 nM 4.52 Compound was evaluated for functional potencies and efficacies at human Nicotini... 9435889

Literature References

PubMed DOI Target Context # Activities
21962147 10.1021/jm201045m Neuronal acetylcholine receptor; alpha4/beta2 4
9022806 10.1021/jm960233u Mus musculus 4
9435889 10.1021/jm970377o Neuronal acetylcholine receptor subunit alpha-7 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
9022806 10.1021/jm960233u Canis familiaris 2
9022806 10.1021/jm960233u IMR-32 2
9435889 10.1021/jm970377o Neuronal acetylcholine receptor; alpha4/beta2 2
9022806 10.1021/jm960233u Neuronal acetylcholine receptor subunit alpha-7 1
9022806 10.1021/jm960233u Neuronal acetylcholine receptor 1
9435889 10.1021/jm970377o Rattus norvegicus 1
9022806 10.1021/jm960233u ADMET 1
11741488 10.1021/jm010129z Neuronal acetylcholine receptor; alpha4/beta2 1
11741488 10.1021/jm010129z Neuronal acetylcholine receptor subunit alpha-7 1
9435889 10.1021/jm970377o Acetylcholine receptor subunit delta 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
9435889 10.1021/jm970377o Neuronal acetylcholine receptor; alpha3/beta4 1
32026697 10.1021/acs.jmedchem.9b00790 Neuronal acetylcholine receptor; alpha4/beta2 1
32026697 10.1021/acs.jmedchem.9b00790 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine