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Compound Detail

CHEMBL5191872

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COc1cc2cc(N)cnc2cc1OCCCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5191872
Phase Preclinical
Structure Type MOL
InChI Key IIBHWWPTPAITJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
2.69
ALogP
5
HBA
1
HBD
60.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N3O2
MW 301.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
35718104 10.1016/j.bmcl.2022.128858 Histone-lysine N-methyltransferase EHMT2 1
35718104 10.1016/j.bmcl.2022.128858 Histone-lysine N-methyltransferase SETDB1 1
35718104 10.1016/j.bmcl.2022.128858 Histone-lysine N-methyltransferase SUV39H1 1

Data from ChEMBL 36 via Core Engine