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Compound Detail

CHEMBL4561626

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O=C1N(c2ccc(-c3ccccc3)cc2)C(=O)C2(CCNCC2)N1c1ncccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4561626
Phase Preclinical
Structure Type MOL
InChI Key DIFDHZPOYNCBOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
3.24
ALogP
5
HBA
1
HBD
78.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N5O2
MW 399.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
31057728 10.1039/C8MD00548F Egl nine homolog 1 2
31057728 10.1039/C8MD00548F Unchecked 1
31057728 10.1039/C8MD00548F Lysine-specific demethylase 4A 1

Data from ChEMBL 36 via Core Engine