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Compound Detail

CHEMBL323326

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CN(C)c1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323326
Phase Preclinical
Structure Type MOL
InChI Key QUQRWNFPIAUQHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.53
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.65
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 C17H19N5O2S
MW 357.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
12941317 10.1016/s0960-894x(03)00630-9 Cyclin-dependent kinase 1 1
12941317 10.1016/s0960-894x(03)00630-9 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine