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Compound Detail

CHEMBL4301334

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CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@H](NC(=O)c3ccccc3)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C

Basic Information

ChEMBL ID CHEMBL4301334
Phase Preclinical
Structure Type MOL
InChI Key HZYMBXLPESQUGU-LVOATVLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

854.1
MW (Da)
7.63
ALogP
10
HBA
4
HBD
170.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H75NO11
MW 854.14
Aromatic Rings 1
Heavy Atoms 61
NP-Likeness 1.71

Data from ChEMBL 36 via Core Engine