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Compound Detail

CHEMBL348003

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c1ccc2c3nc[nH]c(NC4CCCCC4)c-3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL348003
Phase Preclinical
Structure Type MOL
InChI Key KSCKOEUGVOTEFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.4
MW (Da)
3.81
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4
MW 266.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
10639288 10.1021/jm9903949 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine