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Compound Detail

CHEMBL1852870

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CCC(C)[C@@H](N)C(=O)O[C@H]1C[C@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@@H]1COP1(=O)OCc2cccc(C)c2O1

Basic Information

ChEMBL ID CHEMBL1852870
Phase Preclinical
Structure Type MOL
InChI Key OIGKRGVZRKAOIK-PYMVOSCKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

628.4
MW (Da)
3.52
ALogP
11
HBA
2
HBD
161.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31BrN3O9P
MW 628.41
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.57

Data from ChEMBL 36 via Core Engine