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Compound Detail

CHEMBL2398411

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COC(=O)C1=C(C(C)C)NC(=O)NC1c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2398411
Phase Preclinical
Structure Type MOL
InChI Key HVTWQRXLPHDMEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
2.03
ALogP
5
HBA
2
HBD
110.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3O5
MW 319.32
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
23688558 10.1016/j.bmc.2013.04.054 Voltage-dependent L-type calcium channel subunit alpha-1C 1
23688558 10.1016/j.bmc.2013.04.054 Voltage-dependent L-type calcium channel subunit alpha-1D 1

Data from ChEMBL 36 via Core Engine