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Compound Detail

CHEMBL1688952

2-MERCAPTOPYRIMIDINE
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Basic Information

ChEMBL ID CHEMBL1688952
Name 2-MERCAPTOPYRIMIDINE
Phase Preclinical
Structure Type MOL
InChI Key HBCQSNAFLVXVAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

112.2
MW (Da)
0.77
ALogP
3
HBA
1
HBD
25.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H4N2S
MW 112.16
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
20921305 10.1128/aac.01029-10 Bacillus anthracis 3
23750537 10.1021/jm4001488 5'-AMP-activated protein kinase catalytic subunit alpha-2 2
20921305 10.1128/aac.01029-10 J774.A1 1
23750537 10.1021/jm4001488 Unchecked 1

Data from ChEMBL 36 via Core Engine