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Compound Detail

CHEMBL3597815

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CN(CCN1CCCC1)C(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597815
Phase Preclinical
Structure Type MOL
InChI Key HEERRBPBDDCWTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

609.6
MW (Da)
5.77
ALogP
5
HBA
0
HBD
56.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H38Cl2N4O3
MW 609.60
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.09

Literature References

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

Data from ChEMBL 36 via Core Engine