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Compound Detail

CHEMBL1188353

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COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(COC(=O)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188353
Phase Preclinical
Structure Type MOL
InChI Key INYWDGYYHUEUKK-MSJYEKNCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

792.8
MW (Da)
4.33
ALogP
11
HBA
4
HBD
192.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H51Cl2N3O10
MW 792.75
Aromatic Rings 2
Heavy Atoms 54
NP-Likeness 1.18

Data from ChEMBL 36 via Core Engine