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Compound Detail

CHEMBL283656

DAZMEGREL
🧪 Phase II
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🧪 Phase II
Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O

Basic Information

ChEMBL ID CHEMBL283656
Name DAZMEGREL
Phase Phase II
Structure Type MOL
InChI Key DEQLGSOHGTZKFB-UHFFFAOYSA-N

Known Names

Dazmegrel UK-38,485 UK-38485
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
3
Known Names

Molecular Properties

283.3
MW (Da)
2.67
ALogP
4
HBA
1
HBD
60.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -grel
USAN Year 1984

Extended Properties

Molecular Formula C16H17N3O2
MW 283.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.26

Activity Summary

IC50 7 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thromboxane-A synthase
CHEMBL1835
IC50 7.55 7.55 28.0 3
Homo sapiens
CHEMBL372
IC50 5.72 5.1433 1900.0 3
Rattus norvegicus
CHEMBL376
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2724303 10.1021/jm00126a031 Rattus norvegicus 9
1311763 10.1021/jm00082a002 Mus musculus 9
3081722 10.1021/jm00153a007 Thromboxane-A synthase 6
2704033 10.1021/jm00124a027 Mus musculus 5
2704033 10.1021/jm00124a027 Homo sapiens 2
1311763 10.1021/jm00082a002 Homo sapiens 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
9341919 10.1021/jm9702793 Thromboxane-A synthase 1
- 10.1016/0960-894X(96)00299-5 Thromboxane A2 receptor 1
- 10.1016/0960-894X(96)00299-5 Thromboxane-A synthase 1
3081722 10.1021/jm00153a007 Prostacyclin synthase 1
3081722 10.1021/jm00153a007 Prostaglandin G/H synthase (cyclooxygenase) 1
3081722 10.1021/jm00153a007 Cytochrome P450 11B1, mitochondrial 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine