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Compound Detail

CHEMBL133365

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Cc1cn(C=C=CCO)c(=O)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133365
Phase Preclinical
Structure Type MOL
InChI Key KYKYYHDAOLNONI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
-0.25
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11N3O2
MW 193.21
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.28

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 2
1992143 10.1021/jm00105a064 MC-38 1
1992143 10.1021/jm00105a064 Homo sapiens 1
1992143 10.1021/jm00105a064 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine