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Compound Detail

CHEMBL3621705

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COc1cc2nc(N3CCCC3)nc(NCC(=O)NCCN3CCN(C)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3621705
Phase Preclinical
Structure Type MOL
InChI Key CCELBXYRJMVZDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
1.02
ALogP
9
HBA
2
HBD
95.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35N7O3
MW 457.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.55

Literature References

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

Data from ChEMBL 36 via Core Engine