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Compound Detail

CHEMBL3622282

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COc1cc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(NCCCCCN3CCCC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622282
Phase Preclinical
Structure Type MOL
InChI Key MHRXNAWVODDSKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
4.98
ALogP
9
HBA
2
HBD
114.7
PSA (Ų)
0.21
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O4
MW 480.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.35

Literature References

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

Data from ChEMBL 36 via Core Engine