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Compound Detail

CHEMBL5409389

NT-0796
Phase I
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Phase I
CC(C)OC(=O)[C@@H](Cc1ncccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2

Basic Information

ChEMBL ID CHEMBL5409389
Name NT-0796
Phase Phase I
Structure Type MOL
InChI Key UMUQEMHROZVOTF-LJQANCHMSA-N

Known Names

Nt-0796
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
1
Known Names
1
Indications

Molecular Properties

409.5
MW (Da)
3.57
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C23H27N3O4
MW 409.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.35

Indications

Cardiovascular Diseases

Activity Summary

IC50 3 meas. best 9.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NACHT, LRR and PYD domains-containing protein 3
CHEMBL1741208
IC50 9.49 8.7733 0.3 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37874905 10.1021/acs.jmedchem.3c01398 ADMET 5
37874905 10.1021/acs.jmedchem.3c01398 NACHT, LRR and PYD domains-containing protein 3 4
37874905 10.1021/acs.jmedchem.3c01398 Unchecked 4
37874905 10.1021/acs.jmedchem.3c01398 Cytochrome P450 3A4 2
37874905 10.1021/acs.jmedchem.3c01398 No relevant target 1
37874905 10.1021/acs.jmedchem.3c01398 Cytochrome P450 2C19 1
37874905 10.1021/acs.jmedchem.3c01398 Cytochrome P450 1A2 1
37874905 10.1021/acs.jmedchem.3c01398 Cytochrome P450 2C9 1
37874905 10.1021/acs.jmedchem.3c01398 Cytochrome P450 2D6 1
37874905 10.1021/acs.jmedchem.3c01398 NACHT, LRR and PYD domains-containing protein 4 1
37874905 10.1021/acs.jmedchem.3c01398 5-hydroxytryptamine receptor 2B 1
37874905 10.1021/acs.jmedchem.3c01398 Cytochrome P450 2B6 1
37874905 10.1021/acs.jmedchem.3c01398 Cytochrome P450 2C8 1
37874905 10.1021/acs.jmedchem.3c01398 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37874905 10.1021/acs.jmedchem.3c01398 HepG2 1

Data from ChEMBL 36 via Core Engine