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Compound Detail

CHEMBL1194364

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CN1C2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2C(=O)OCCc1ccc(NC(=O)CBr)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194364
Phase Preclinical
Structure Type MOL
InChI Key OXRXFSKNIHGCRU-TURIGRFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

529.4
MW (Da)
3.81
ALogP
6
HBA
1
HBD
84.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29BrN2O5
MW 529.43
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.07

Data from ChEMBL 36 via Core Engine