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Compound Detail

CHEMBL459500

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CCN(CC)Cc1c(C(=O)N/N=C/c2ccco2)nnn1-c1nonc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459500
Phase Preclinical
Structure Type MOL
InChI Key JELWCZRRFFPCEF-CAOOACKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
0.43
ALogP
11
HBA
2
HBD
153.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N9O3
MW 373.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.73

Literature References

PubMed DOI Target Context # Activities
18783202 10.1021/jm800539g Serine/threonine-protein kinase B-raf 1

Data from ChEMBL 36 via Core Engine