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Compound Detail

CHEMBL342941

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NC1=NC(N)c2c(ncn2CC#CCO)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342941
Phase Preclinical
Structure Type MOL
InChI Key WPRBMPPUZCNCAX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
-1.42
ALogP
7
HBA
4
HBD
114.5
PSA (Ų)
0.43
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 C9H12N6O
MW 220.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 1

Data from ChEMBL 36 via Core Engine