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Compound Detail

CHEMBL4579945

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Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ncccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4579945
Phase Preclinical
Structure Type MOL
InChI Key XFDLXPQRAGQNLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
3.89
ALogP
7
HBA
0
HBD
87.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N7O2
MW 493.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.28

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