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Compound Detail

CHEMBL1193444

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Cc1ccccc1C(CCOCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193444
Phase Preclinical
Structure Type MOL
InChI Key NCQUTYKKPGXQOF-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
4.64
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33NO3
MW 395.54
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine