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Compound Detail

CHEMBL3622266

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COc1cc2nc(N3CCCC3)nc(N[C@H]3CC[C@H](CN)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622266
Phase Preclinical
Structure Type MOL
InChI Key PIXQYZCAGSVWNU-SHTZXODSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
3.18
ALogP
7
HBA
2
HBD
85.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N5O2
MW 385.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
25554733 10.1039/c4md00317a N-lysine methyltransferase KMT5A 1

Data from ChEMBL 36 via Core Engine