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Compound Detail

CHEMBL3359687

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Cl.NC(C(=O)O)c1ccc(-n2cccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359687
Phase Preclinical
Structure Type MOL
InChI Key AMPPYVSYNCYQEV-UHFFFAOYSA-N
Parent Compound CHEMBL3545929
Active Moiety CHEMBL3545929
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
0.96
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.80
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 C11H12ClN3O2
MW 253.69
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
25299353 10.1021/jm501323a Leucine aminopeptidase 1
25299353 10.1021/jm501323a Aminopeptidase N 1
25299353 10.1021/jm501323a HEK293 1

Data from ChEMBL 36 via Core Engine