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Compound Detail

CHEMBL5591791

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COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)CF)C3)cn2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5591791
Phase Preclinical
Structure Type MOL
InChI Key TWNVJXDHBHDUMQ-PXDATVDWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

528.5
MW (Da)
2.43
ALogP
10
HBA
3
HBD
141.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F3N8O2
MW 528.54
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
39008565 10.1021/acs.jmedchem.4c00640 Histone-lysine N-methyltransferase NSD2 1

Data from ChEMBL 36 via Core Engine