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Compound Detail

CHEMBL448348

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Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL448348
Phase Preclinical
Structure Type MOL
InChI Key OLGWXCQXRSSQPO-MHARETSRSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

868.4
MW (Da)
-3.86
ALogP
25
HBA
12
HBD
473.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28N10O21P4
MW 868.39
Aromatic Rings 4
Heavy Atoms 55
NP-Likeness 0.67

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.08333 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
1479375 10.1021/np50089a001 Proto-oncogene tyrosine-protein kinase Src 1
1479375 10.1021/np50089a001 Unchecked 1
20175517 10.1021/jm901621h Blood 1

Data from ChEMBL 36 via Core Engine