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Compound Detail

CHEMBL4249702

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CC(=O)N(Cc1ccco1)c1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4249702
Phase Preclinical
Structure Type MOL
InChI Key QXIUAGMTFWTFLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.8
MW (Da)
5.31
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClFN4O2
MW 410.84
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
30258545 10.1021/acsmedchemlett.8b00296 Son of sevenless homolog 1 2

Data from ChEMBL 36 via Core Engine