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Compound Detail

CHEMBL1213829

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COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCCCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213829
Phase Preclinical
Structure Type MOL
InChI Key GNLRWJSPQSAOPT-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

527.8
MW (Da)
3.79
ALogP
9
HBA
1
HBD
69.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H49N7O2
MW 527.76
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.05

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20614940 10.1021/jm100478y Histone-lysine N-methyltransferase EHMT2 2

Data from ChEMBL 36 via Core Engine