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Compound Detail

CHEMBL1160806

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O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1-c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1160806
Phase Preclinical
Structure Type MOL
InChI Key GZYRNUNJQPETEJ-IQJOONFLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
0.02
ALogP
8
HBA
4
HBD
151.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N2O8PS
MW 390.31
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.22

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