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Compound Detail

CHEMBL75276

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Cc1[nH]c2nc(N)nc(O)c2c1CNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL75276
Phase Preclinical
Structure Type MOL
InChI Key CMMCCEOFORPIQN-CYBMUJFWSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
1.21
ALogP
8
HBA
7
HBD
203.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N6O6
MW 442.43
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.55

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10377234 10.1021/jm980586o Thymidylate synthase 2

Data from ChEMBL 36 via Core Engine