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Compound Detail

CHEMBL3963092

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Cn1cc(-c2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3963092
Phase Preclinical
Structure Type MOL
InChI Key LCYVUKHRHXMNQG-UONOGXRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.26
ALogP
6
HBA
3
HBD
111.8
PSA (Ų)
0.79
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 C16H22N6O
MW 314.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
27994755 10.1021/acsmedchemlett.6b00353 Tyrosine-protein kinase SYK 2
27994755 10.1021/acsmedchemlett.6b00353 Salmonella typhimurium 1
27994755 10.1021/acsmedchemlett.6b00353 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine