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Compound Detail

CHEMBL171641

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C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171641
Phase Preclinical
Structure Type MOL
InChI Key YIBKVMNCOKLUGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
2.22
ALogP
7
HBA
1
HBD
89.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5O3S
MW 465.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
8632414 10.1021/jm9502652 Thymidylate synthase 4
8632414 10.1021/jm9502652 L1210 2
8632414 10.1021/jm9502652 CCRF-CEM 2
8632414 10.1021/jm9502652 GC3/MTK- 2

Data from ChEMBL 36 via Core Engine