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Compound Detail

CHEMBL3613619

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COC(=O)c1cccc(NC(=O)C2(N)CCN(c3ccnc(NC(C)=O)n3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613619
Phase Preclinical
Structure Type MOL
InChI Key DFNYHODYPRNKAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
1.16
ALogP
8
HBA
3
HBD
139.5
PSA (Ų)
0.62
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 C20H24N6O4
MW 412.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
26233434 10.1016/j.bmcl.2015.07.009 LIM domain kinase 1 1
26233434 10.1016/j.bmcl.2015.07.009 LIM domain kinase 2 1
26233434 10.1016/j.bmcl.2015.07.009 Rho-associated protein kinase 2 1
26233434 10.1016/j.bmcl.2015.07.009 cAMP-dependent protein kinase (PKA) 1

Data from ChEMBL 36 via Core Engine