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Compound Detail

CHEMBL3597825

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CCNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597825
Phase Preclinical
Structure Type MOL
InChI Key RNPYSINZQOBROZ-UHFFFAOYSA-N
Parent Compound CHEMBL3322555
Active Moiety CHEMBL3322555
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

569.5
MW (Da)
4.94
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35Cl3N4O3
MW 605.99
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
26037610 10.1016/j.bmc.2015.05.018 Adenosylhomocysteinase 1

Data from ChEMBL 36 via Core Engine