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Compound Detail

CHEMBL3798270

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CN(C)C1(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798270
Phase Preclinical
Structure Type MOL
InChI Key PAOKFNVXQHEMAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
3.77
ALogP
6
HBA
3
HBD
105.8
PSA (Ų)
0.40
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 C27H32N8O
MW 484.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.47

Literature References

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

Data from ChEMBL 36 via Core Engine