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Compound Detail

CHEMBL3798275

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CN(C)C1(C(=O)Nc2cccc(-n3cncn3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798275
Phase Preclinical
Structure Type MOL
InChI Key IWTYIWZMOWXLSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
2.96
ALogP
8
HBA
2
HBD
107.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N9O
MW 485.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00473J LIM domain kinase 2 1

Data from ChEMBL 36 via Core Engine