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Quick search ChEMBL 36
Compound Detail

CHEMBL440687

ABT-724
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c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440687
Name ABT-724
Phase Preclinical
Structure Type MOL
InChI Key FRPJGTNLZNXQEX-UHFFFAOYSA-N

Known Names

A-369724
4
Targets
17
Activities
3
Assay Types
0
PK Parameters
20
Publications
1
Known Names

Molecular Properties

293.4
MW (Da)
2.28
ALogP
4
HBA
1
HBD
48.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula C17H19N5
MW 293.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.32

Activity Summary

EC50 8 meas. best 7.92
Ki 8 meas. best 7.33
IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 EC50 7.92 7.92 12.0 1
D(4) dopamine receptor
CHEMBL219
 EC50 7.91 7.91 12.4 4
D(4) dopamine receptor
CHEMBL3361
 EC50 7.86 7.7767 13.7 3
D(4) dopamine receptor
CHEMBL219
 Ki 7.33 7.1375 46.8 4
D(2) dopamine receptor
CHEMBL217
 Ki 6.8 5.3033 160.0 3
Unchecked
CHEMBL612545
 IC50 4.62 4.62 24030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor EC50 = 12.0 nM 7.92 Agonist activity at human D2R expressed in HEK293 cells incubated for 3 mins by ... 33422983
D(4) dopamine receptor EC50 = 12.4 nM 7.91 D4 efficacy was measured using recombinant human Dopamine receptor D4 expressed ... 15084133
D(4) dopamine receptor EC50 = 12.4 nM 7.91 In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor... 15239663
D(4) dopamine receptor EC50 = 12.4 nM 7.91 Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5... 17149874
D(4) dopamine receptor EC50 = 12.4 nM 7.91 Cellular FLIPR (fluorometric imaging plate reader) assay -
D(4) dopamine receptor EC50 = 13.7 nM 7.86 Agonist activity at rat D4 receptor in HEK293 cells coexpressing G-alpha-qo5 by ... 17149874
D(4) dopamine receptor EC50 = 14.3 nM 7.84 In vitro effective concentration tested on HEK293 cells co-transfected with rat ... 15239663
D(4) dopamine receptor EC50 = 23.2 nM 7.63 In vitro effective concentration tested on HEK293 cells co-transfected with ferr... 15239663
D(4) dopamine receptor Ki = 46.8 nM 7.33 Radioligand assay (DRD4.7) -
D(4) dopamine receptor Ki = 57.5 nM 7.24 Radioligand assay using 3[H] A-369508 -
D(4) dopamine receptor Ki = 63.6 nM 7.2 Radioligand assay (DRD4.4) -
D(2) dopamine receptor Ki = 160.0 nM 6.8 In vitro binding affinity tested on human Dopamine receptor D2 using [3H]spipero... 15239663
D(4) dopamine receptor Ki = 167.0 nM 6.78 Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displaceme... 15084133
D(2) dopamine receptor Ki = 15000.0 nM 4.82 In vitro binding affinity tested on human Dopamine receptor D2 (long) using [3H]... 15239663
Unchecked IC50 = 24030.0 nM 4.62 PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... -
D(2) dopamine receptor Ki = 51000.0 nM 4.29 In vitro binding affinity tested on human Dopamine receptor D2 (short) using [3H... 15239663

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4507260 Tyrosine-protein kinase ABL1 15
- 10.6019/CHEMBL4507260 Epidermal growth factor receptor 12
- 10.6019/CHEMBL4507260 Receptor-type tyrosine-protein kinase FLT3 11
- 10.6019/CHEMBL4507260 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 10
- 10.6019/CHEMBL4507260 Mast/stem cell growth factor receptor Kit 9
- 10.6019/CHEMBL4507260 Unchecked 9
15239663 10.1021/jm030505a D(4) dopamine receptor 6
15239663 10.1021/jm030505a D(2) dopamine receptor 6
17149874 10.1021/jm060662k D(4) dopamine receptor 5
- 10.6019/CHEMBL4507260 D(4) dopamine receptor 5
- 10.6019/CHEMBL4507260 Proto-oncogene tyrosine-protein kinase receptor Ret 4
15084133 10.1021/jm0305669 D(4) dopamine receptor 3
- 10.6019/CHEMBL4507260 Hepatocyte growth factor receptor 3
- 10.6019/CHEMBL4507260 ALK tyrosine kinase receptor 3
- 10.6019/CHEMBL4507260 Serine/threonine-protein kinase B-raf 2
- 10.6019/CHEMBL4507260 Fibroblast growth factor receptor 3 2
- 10.6019/CHEMBL4507260 Tyrosine-protein kinase JAK1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
15239663 10.1021/jm030505a Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine