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Compound Detail

CHEMBL4439004

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Cl.O=C(NO)C(NCc1ccc(F)c(O)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439004
Phase Preclinical
Structure Type MOL
InChI Key DLQICQGGRIIGPI-UHFFFAOYSA-N
Parent Compound CHEMBL4597745
Active Moiety CHEMBL4597745
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
3.95
ALogP
4
HBA
4
HBD
81.6
PSA (Ų)
0.21
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClF4N2O3
MW 456.82
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
31251594 10.1021/acs.jmedchem.9b00757 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine