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Compound Detail

CHEMBL4208194

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CC(C)(C)c1ccc(C2(C(=O)N3CCN(c4ncnc5[nH]ccc45)CC3)CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4208194
Phase Preclinical
Structure Type MOL
InChI Key IEJKDIGVTSQITG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
3.23
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.65
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 C26H34N6O
MW 446.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
28704757 10.1016/j.ejmech.2017.06.067 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine