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Compound Detail

CHEMBL362940

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COC(=O)C(C)NP(=O)(OCC1(CO)C/C1=C\n1cnc2c(N)ncnc21)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL362940
Phase Preclinical
Structure Type MOL
InChI Key LQQPJDYUEDRRQU-OQLLNIDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
1.99
ALogP
11
HBA
3
HBD
163.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N6O6P
MW 488.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
15634003 10.1021/jm040149b Human alphaherpesvirus 1 3
15634003 10.1021/jm040149b Human betaherpesvirus 5 2
15634003 10.1021/jm040149b NON-PROTEIN TARGET 2
15634003 10.1021/jm040149b Human alphaherpesvirus 2 2
15634003 10.1021/jm040149b HFF 2
15634003 10.1021/jm040149b Human gammaherpesvirus 4 2
15634003 10.1021/jm040149b Hepatitis B virus 1
15634003 10.1021/jm040149b Daudi 1
15634003 10.1021/jm040149b ADMET 1
15634003 10.1021/jm040149b MEF 1
15634003 10.1021/jm040149b Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine