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Compound Detail

CHEMBL1191645

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CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191645
Phase Preclinical
Structure Type MOL
InChI Key XAQUXKYKUDRDHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
3.56
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H35NO3
MW 349.52
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine