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Compound Detail

CHEMBL2151570

ABT-107
Phase I
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Phase I
c1cc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)nn3)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2151570
Name ABT-107
Phase Phase I
Structure Type MOL
InChI Key LUKNJAQKVPBDSC-SFHVURJKSA-N

Known Names

Abt-107 Abt-107 free base ABT-PR1
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
3
Known Names
1
Mechanisms

Molecular Properties

320.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C19H20N4O
MW 320.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.60

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Neuronal acetylcholine receptor protein alpha-7 subunit agonist AGONIST Neuronal acetylcholine receptor subunit alpha-7 ✓ ✓

Activity Summary

Ki 5 meas. best 9.7
EC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
 Ki 9.7 9.17 0.2 3
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
 Ki 9.7 9.7 0.2 1
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
 EC50 7.3 7.3 50.0 1
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
 EC50 7.3 7.3 50.0 1
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907596
 Ki 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor subunit alpha-7 Ki = 0.2 nM 9.7 Displacement of [3H]A-585539 from alpha7 nAChR rat cortex 21919481
Neuronal acetylcholine receptor subunit alpha-7 Ki = 0.2 nM 9.7 Displacement of [3H]A-585539 from alpha7 nAChR human cortex 21919481
Neuronal acetylcholine receptor subunit alpha-7 Ki = 0.22 nM 9.66 Displacement of [3H]A-585539 from alpha7 nAChR in human cerebral cortex membrane... 27774124
Neuronal acetylcholine receptor subunit alpha-7 Ki = 7.0 nM 8.15 Displacement of [3H]-MLA from alpha7 nAChR 21919481
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 50.0 nM 7.3 Agonist activity at rat alpha7 nAchR expressed in Xenopus oocyte 21919481
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 50.0 nM 7.3 Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte 21919481
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 4000.0 nM 5.4 Displacement of [3H]cytisine from alpha4beta2 nAChR in Sprague-Dawley rat brain ... 27774124

Literature References

PubMed DOI Target Context # Activities
21919481 10.1021/jm2007672 Neuronal acetylcholine receptor subunit alpha-7 7
21919481 10.1021/jm2007672 5-hydroxytryptamine receptor 3A 1
27774124 10.1021/acsmedchemlett.6b00146 Neuronal acetylcholine receptor; alpha4/beta2 1
27774124 10.1021/acsmedchemlett.6b00146 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine