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Compound Detail

CHEMBL311351

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Nc1nc(O)c2ncn(C/C=C\CO)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311351
Phase Preclinical
Structure Type MOL
InChI Key OPKAHOTXQFICOG-UPHRSURJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

221.2
MW (Da)
-0.34
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11N5O2
MW 221.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.14

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2848125 10.1021/jm00120a010 DNA polymerase catalytic subunit 5
2848125 10.1021/jm00120a010 Oryctolagus cuniculus 2
2848125 10.1021/jm00120a010 Unchecked 1
1992143 10.1021/jm00105a064 L1210 1

Data from ChEMBL 36 via Core Engine