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Compound Detail

CHEMBL4764863

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OC(COc1cccc(CNC2CCCC2)c1)CN1CCc2ccncc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764863
Phase Preclinical
Structure Type MOL
InChI Key LDVDUBWSVPPRPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
2.91
ALogP
5
HBA
2
HBD
57.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O2
MW 381.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
26985292 10.1021/acsmedchemlett.5b00380 PRMT5/MEP50 complex 1

Data from ChEMBL 36 via Core Engine