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Compound Detail

CHEMBL460292

ASDOPHAN
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CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460292
Name ASDOPHAN
Phase Preclinical
Structure Type MOL
InChI Key SULYQGVAYSECAW-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

538.5
MW (Da)
3.01
ALogP
6
HBA
3
HBD
108.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33Cl2N3O5
MW 538.47
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 2
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 2

Data from ChEMBL 36 via Core Engine