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Compound Detail

CHEMBL153236

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CSc1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153236
Phase Preclinical
Structure Type MOL
InChI Key JDTUZRCXZMPYGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
3.12
ALogP
5
HBA
0
HBD
80.5
PSA (Ų)
0.38
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 C15H10N2O4S
MW 314.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
10098663 10.1016/s0960-894x(99)00034-7 Dipeptidyl peptidase 4 2
10098663 10.1016/s0960-894x(99)00034-7 Aminopeptidase N 1
10098663 10.1016/s0960-894x(99)00034-7 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine