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Compound Detail

CHEMBL4650993

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COc1ccccc1CCC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650993
Phase Preclinical
Structure Type MOL
InChI Key HZQNZNQQSVDUMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.77
ALogP
6
HBA
4
HBD
100.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O5
MW 400.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.18

Data from ChEMBL 36 via Core Engine