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Compound Detail

CHEMBL3924461

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COC(=O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc(C(O)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3924461
Phase Preclinical
Structure Type MOL
InChI Key JBOFLWFXLZLMCS-KBBXLCFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.65
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36O4
MW 412.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.93

Data from ChEMBL 36 via Core Engine