Compound Detail

CHEMBL4111819

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CC(=O)O[C@H]1[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)Nc2c(/C=N/N3CCN(C)CC3)c(O)c3c4c(c(C)c(O)c3c2O)O[C@](C)(O/C=C/[C@H](CO)[C@H]1C)C4=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4111819
Phase	Preclinical
Structure Type	MOL
InChI Key	FDMGSTDXWWNIJQ-JHWXNPRNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

823.0

MW (Da)

3.93

ALogP

HBA

HBD

231.2

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C43H58N4O12
MW	822.95
Aromatic Rings	2
Heavy Atoms	59
NP-Likeness	1.58

Data from ChEMBL 36 via Core Engine