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Compound Detail

CHEMBL5440108

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Cn1ncc2cc(-c3ncc4c(ccn4Cc4c[nH]cn4)c3-c3ccc(C#N)c(F)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440108
Phase Preclinical
Structure Type MOL
InChI Key RIZQLBBAPAZSIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
5.04
ALogP
6
HBA
1
HBD
88.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18FN7
MW 447.48
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
37849536 10.1021/acsmedchemlett.3c00292 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine