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Compound Detail

CHEMBL117758

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COCCOCn1cc(C(=N)S)c2c(N(C)C)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117758
Phase Preclinical
Structure Type MOL
InChI Key SEVLMOFEZLUVRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
1.37
ALogP
7
HBA
2
HBD
76.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19N5O2S
MW 309.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.90

Pharmacokinetic Data

Parameter Value Units Species
T1/2 150.0 uM -

Literature References

PubMed DOI Target Context # Activities
8784444 10.1021/jm950835y ADMET 1
8784444 10.1021/jm950835y Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine