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Compound Detail

CHEMBL5028596

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COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028596
Phase Preclinical
Structure Type MOL
InChI Key CEOONSHYUMMCRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.28
ALogP
5
HBA
4
HBD
94.6
PSA (Ų)
0.47
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 C23H28N2O4
MW 396.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.21

Data from ChEMBL 36 via Core Engine