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Compound Detail

CHEMBL2163819

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CN1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2163819
Phase Preclinical
Structure Type MOL
InChI Key WFRXEZYSVYRRFE-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.4
MW (Da)
4.01
ALogP
3
HBA
2
HBD
68.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28Cl2N4O2
MW 499.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
22497444 10.1021/jm300122u Ceramide glucosyltransferase 1

Data from ChEMBL 36 via Core Engine