Compound Detail

CHEMBL406304

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CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C)[C@@H](C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL406304
Phase	Preclinical
Structure Type	BOTH
InChI Key	DXBKIGOQJNKCJG-NCBLFUNDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

993.1

MW (Da)

-3.86

ALogP

HBA

HBD

420.1

PSA (Å²)

0.04

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C44H68N10O16
MW	993.08
Aromatic Rings	1
Heavy Atoms	70
NP-Likeness	0.10

Literature References

PubMed	DOI	Target Context	# Activities
1310120	10.1021/jm00080a021	Ribonucleoside-diphosphate reductase large subunit	2

Data from ChEMBL 36 via Core Engine