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Compound Detail

CHEMBL320200

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Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=C(N)N)[C@H]2O)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL320200
Phase Preclinical
Structure Type MOL
InChI Key WBXVUUMZCKIHOU-JXOAFFINSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
-3.26
ALogP
7
HBA
5
HBD
168.9
PSA (Ų)
0.29
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 C11H17N5O5
MW 299.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.20

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12941330 10.1016/s0960-894x(03)00643-7 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine