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Compound Detail

CHEMBL1196933

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NCCCC[C@H](NC(=O)N1CCOCC1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196933
Phase Preclinical
Structure Type MOL
InChI Key RFFVSYIMXSVIFA-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

590.5
MW (Da)
4.31
ALogP
8
HBA
2
HBD
132.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33Cl2N5O5
MW 590.51
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine