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Compound Detail

CHEMBL148478

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CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])C1c1ccncc1

Basic Information

ChEMBL ID CHEMBL148478
Phase Preclinical
Structure Type MOL
InChI Key SJLFWXRSFJLMSE-SDNWHVSQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
2.56
ALogP
6
HBA
1
HBD
97.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O4
MW 289.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.94

Activity Summary

EC50 1 meas. best 4.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
EC50 4.31 4.31 48500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus EC50 = 48500.0 nM 4.31 Compound was tested for calcium channel agonistic activity, causing a 50% increa... 9484501

Literature References

PubMed DOI Target Context # Activities
9484501 10.1021/jm9704006 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine