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Compound Detail

CHEMBL220363

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O=C(NCc1ccc(F)cc1)c1cc2ccccc2n(O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220363
Phase Preclinical
Structure Type MOL
InChI Key SSDMOPVNOCRVRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
2.31
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.73
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 C17H13FN2O3
MW 312.30
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.30

Pharmacokinetic Data

Parameter Value Units Species
T1/2 48.0 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
17326615 10.1021/jm061169b Aminopeptidase N 2
17326615 10.1021/jm061169b No relevant target 2
17326615 10.1021/jm061169b Rattus norvegicus 1
19821586 10.1021/jm900648x Plasma 1
19821586 10.1021/jm900648x No relevant target 1

Data from ChEMBL 36 via Core Engine