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Compound Detail

CHEMBL3597824

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

Basic Information

ChEMBL ID CHEMBL3597824
Phase Preclinical
Structure Type MOL
InChI Key IVNWGULYAKIJCU-UHFFFAOYSA-N
Parent Compound CHEMBL3322554
Active Moiety CHEMBL3322554
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

555.5
MW (Da)
4.55
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33Cl3N4O3
MW 591.97
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.82

Literature References

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

Data from ChEMBL 36 via Core Engine