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Compound Detail

CHEMBL5174494

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Cc1ccc(C(=O)Nc2cccc3cccnc23)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174494
Phase Preclinical
Structure Type MOL
InChI Key CLLWJTUOXKRHDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.19
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3O
MW 263.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
35439009 10.1021/acs.jmedchem.1c02207 MIA PaCa-2 1
35439009 10.1021/acs.jmedchem.1c02207 PANC-1 1
35439009 10.1021/acs.jmedchem.1c02207 BXPC-3 1

Data from ChEMBL 36 via Core Engine