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Compound Detail

CHEMBL1257015

PICOTAMIDE
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COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1

Basic Information

ChEMBL ID CHEMBL1257015
Name PICOTAMIDE
Phase Preclinical
Structure Type MOL
InChI Key KYWCWBXGRWWINE-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

G-137 NSC-304384 Picotamide
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications
2
Mechanisms

Molecular Properties

376.4
MW (Da)
2.35
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C21H20N4O3
MW 376.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.11

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Thromboxane-A synthase inhibitor INHIBITOR Thromboxane-A synthase
Thromboxane A2 receptor inhibitor INHIBITOR Thromboxane A2 receptor

Indications

Thrombosis

ATC Classification

B01AC03
picotamide
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: ANTITHROMBOTIC AGENTS

Activity Summary

IC50 7 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Blood
CHEMBL613444
IC50 6.47 6.4 340.0 2
NON-PROTEIN TARGET
CHEMBL3879801
IC50 6.12 6.12 760.0 1
Plasmodium falciparum
CHEMBL364
IC50 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34500186 10.1016/j.bmc.2021.116390 Blood 5
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
21965623 10.1124/dmd.111.040758 Bile salt export pump 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
29432947 10.1016/j.ejmech.2018.01.097 Platelet 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine