Compound Detail

CHEMBL591435

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CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)([O-])CP(=O)([O-])OP(=O)([O-])OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1.[Na+].[Na+].[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL591435
Phase	Preclinical
Structure Type	MOL
InChI Key	XVYYZHWWMCDQTR-LVDSEQKXSA-K
Parent Compound	CHEMBL1615710
Active Moiety	CHEMBL1615710

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

846.6

MW (Da)

-1.01

ALogP

HBA

HBD

378.2

PSA (Å²)

0.04

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C23H30N10Na3O15P3S2
MW	912.57
Aromatic Rings	4
Heavy Atoms	53
NP-Likeness	0.37

Literature References

PubMed	DOI	Target Context	# Activities
20175517	10.1021/jm901621h	P2Y purinoceptor 1	1
20175517	10.1021/jm901621h	ADMET	1

Data from ChEMBL 36 via Core Engine