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Compound Detail

CHEMBL1214630

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COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)C3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1214630
Phase Preclinical
Structure Type MOL
InChI Key ONAWSXLCBVSGAW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
1.90
ALogP
8
HBA
1
HBD
66.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N6O2
MW 400.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.19

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