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Compound Detail

CHEMBL3903558

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COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3903558
Phase Preclinical
Structure Type MOL
InChI Key JHUZQUMJNPQVQM-IQLLUQGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.1
MW (Da)
5.89
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H39ClO4
MW 451.05
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.72

Data from ChEMBL 36 via Core Engine