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Compound Detail

CHEMBL2079433

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Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079433
Phase Preclinical
Structure Type MOL
InChI Key LQXKEVYUMXREMM-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
5.97
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.41
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35NO5
MW 501.62
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine