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Compound Detail

CHEMBL123912

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Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123912
Phase Preclinical
Structure Type MOL
InChI Key JSXXEEOHRDWOFK-FDDDBJFASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
-0.98
ALogP
7
HBA
3
HBD
153.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O5
MW 297.27
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.10

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12930144 10.1021/jm021108n Thymidylate kinase 1
12930144 10.1021/jm021108n Thymidine kinase, cytosolic 1
8381182 10.1021/jm00055a006 L1210 1
8381182 10.1021/jm00055a006 P388 1
8381182 10.1021/jm00055a006 Unchecked 1
8381182 10.1021/jm00055a006 CCRF-CEM 1
8381182 10.1021/jm00055a006 MT2 1

Data from ChEMBL 36 via Core Engine