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Compound Detail

CHEMBL3342337

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O=C1CNC(=O)/C(=C/c2cccc(C(=O)c3ccccc3)c2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342337
Phase Preclinical
Structure Type MOL
InChI Key QNQRPRMRMXTWFW-GDNBJRDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
1.50
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.67
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 C18H14N2O3
MW 306.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
25313318 10.1021/ml5001883 HT-29 1

Data from ChEMBL 36 via Core Engine