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Compound Detail

CHEMBL4085781

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C=CC(=O)NCc1cccc(-c2cc3cccnc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085781
Phase Preclinical
Structure Type MOL
InChI Key PSICYPFDDDMVLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
3.03
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O
MW 277.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
28482151 10.1021/acs.jmedchem.7b00178 Epidermal growth factor receptor 4

Data from ChEMBL 36 via Core Engine