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Compound Detail

CHEMBL4092011

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CCC(=O)Nc1cccc(-c2c[nH]c3nccc(-c4[nH]c(-c5ccccc5)nc4-c4ccc(F)cc4)c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092011
Phase Preclinical
Structure Type MOL
InChI Key CVRLEGLZNVKJFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
7.44
ALogP
3
HBA
3
HBD
86.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H24FN5O
MW 501.57
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -1.12

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