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Compound Detail

CHEMBL258964

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c1ccc(-c2nn3c(c2-c2cc(N4CCCC4)nc4ccccc24)CCC3)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258964
Phase Preclinical
Structure Type MOL
InChI Key JXGHHJQETWYELK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.71
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5
MW 381.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
18314943 10.1021/jm701199p TGF-beta receptor type-1 1
18314943 10.1021/jm701199p NON-PROTEIN TARGET 1
18314943 10.1021/jm701199p NIH3T3 1

Data from ChEMBL 36 via Core Engine