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Compound Detail

CHEMBL1650237

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Basic Information

ChEMBL ID CHEMBL1650237
Phase Preclinical
Structure Type MOL
InChI Key QUKGLNCXGVWCJX-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

101.1
MW (Da)
0.12
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.50
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 C2H3N3S
MW 101.13
Aromatic Rings 1
Heavy Atoms 6
NP-Likeness -2.55

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0336-z Ehrlich 3
21126022 10.1021/jm1010572 Pteridine reductase 1 2
23750537 10.1021/jm4001488 5'-AMP-activated protein kinase catalytic subunit alpha-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21126022 10.1021/jm1010572 Dihydrofolate reductase 1
21126022 10.1021/jm1010572 Bifunctional dihydrofolate reductase-thymidylate synthase 1
- 10.1007/s00044-012-0336-z ADMET 1
- 10.1007/s00044-012-0336-z NON-PROTEIN TARGET 1
23750537 10.1021/jm4001488 Unchecked 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine