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Compound Detail

CHEMBL5081874

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c1ccc2ncc(CNc3cc4c(cn3)[nH]c3ccccc34)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5081874
Phase Preclinical
Structure Type MOL
InChI Key QHKUCCPECQHZPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.88
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N4
MW 324.39
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
35084853 10.1021/acs.jmedchem.1c02159 MCF7 1
35084853 10.1021/acs.jmedchem.1c02159 HeLa 1
35084853 10.1021/acs.jmedchem.1c02159 Raji 1
35084853 10.1021/acs.jmedchem.1c02159 NCI-H460 1
35084853 10.1021/acs.jmedchem.1c02159 A2780S 1

Data from ChEMBL 36 via Core Engine