Compound Detail

CHEMBL5290314

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CCC(=O)O[C@@H](C/C=C(\C)C(=O)OC)[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@@H]1C[C@H](C)C[C@]2(C[C@H](C)C[C@](CC(C)=O)(OC(C)=O)O2)O1)OC(=O)CC(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5290314
Phase	Preclinical
Structure Type	MOL
InChI Key	ROTWVSLXKXHQQL-SMIWBYGFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

911.1

MW (Da)

6.68

ALogP

HBA

HBD

219.6

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C47H74O17
MW	911.09
Aromatic Rings	0
Heavy Atoms	64
NP-Likeness	1.14

Literature References

PubMed	DOI	Target Context	# Activities
30243157	10.1016/j.ejmech.2018.08.093	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	1

Data from ChEMBL 36 via Core Engine