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Compound Detail

CHEMBL1207239

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O=C(O)COc1cccc2c1CCC[C@@H]2N1CCC[C@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207239
Phase Preclinical
Structure Type MOL
InChI Key RIEYXRPBTRTFGV-UIOOFZCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
6.69
ALogP
5
HBA
1
HBD
75.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30N2O4
MW 494.59
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine