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Compound Detail

CHEMBL4595853

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COc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595853
Phase Preclinical
Structure Type MOL
InChI Key BBBNKRPRXRBRGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
2.47
ALogP
5
HBA
0
HBD
59.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO4
MW 301.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine