Compound Detail

CHEMBL226922

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CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H]4C[C@@](O)([C@@H](OC(=O)CNC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)N[C@@H](c5ccccc5)[C@@H](O)C(=O)O4)C21)C3(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL226922
Phase	Preclinical
Structure Type	MOL
InChI Key	WAIBDWCPSFKODJ-CSBPLPSKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

940.0

MW (Da)

-1.02

ALogP

HBA

HBD

305.8

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	C46H61N5O16
MW	940.01
Aromatic Rings	1
Heavy Atoms	67
NP-Likeness	1.90

Literature References

PubMed	DOI	Target Context	# Activities
17064914	10.1016/j.bmc.2006.09.030	KB	1

Data from ChEMBL 36 via Core Engine