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Compound Detail

CHEMBL5498871

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CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)COC(=O)CN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498871
Phase Preclinical
Structure Type MOL
InChI Key VRGWGFBCAJCQIG-RFJFYUKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
0.53
ALogP
11
HBA
0
HBD
129.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35NO10
MW 545.59
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 1.66

Data from ChEMBL 36 via Core Engine