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Compound Detail

CHEMBL5396252

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CNc1nc2cc(OCCCN3CCCC3)c(OC)cc2n1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396252
Phase Preclinical
Structure Type MOL
InChI Key KHCZNSDMIDMPFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.53
ALogP
6
HBA
1
HBD
51.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N4O2
MW 346.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
37268593 10.1021/acs.jmedchem.3c00411 Histone-lysine N-methyltransferase EHMT1 1
37268593 10.1021/acs.jmedchem.3c00411 Histone-lysine N-methyltransferase EHMT2 1
39008565 10.1021/acs.jmedchem.4c00640 Histone-lysine N-methyltransferase EHMT2 1

Data from ChEMBL 36 via Core Engine