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Compound Detail

CHEMBL1194241

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Cc1ccccc1C(=CCOCCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194241
Phase Preclinical
Structure Type MOL
InChI Key RMNHHYOWFFSITR-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.6
MW (Da)
4.94
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.60
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 C26H33NO3
MW 407.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine