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Compound Detail

CHEMBL356435

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Cn1nnc2c(C(O)O)ncn2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356435
Phase Preclinical
Structure Type MOL
InChI Key VBGJVKQWWYAILV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
-2.19
ALogP
8
HBA
2
HBD
105.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H7N5O3
MW 197.15
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.85

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14640561 10.1021/jm030423m ADMET 2
14640561 10.1021/jm030423m NON-PROTEIN TARGET 2
14640561 10.1021/jm030423m Epidermal growth factor receptor 1
14640561 10.1021/jm030423m NIH3T3 1

Data from ChEMBL 36 via Core Engine