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Compound Detail

CHEMBL1183550

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O=C(O)c1ccc2c(c1)/C(=C\CCN1CCCC1)c1ccccc1CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183550
Phase Preclinical
Structure Type MOL
InChI Key PXSGFJRZQDHJSY-UWVJOHFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.19
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO3
MW 349.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine