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Compound Detail

CHEMBL1233987

DIAMINOPYRIMIDINE
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Basic Information

ChEMBL ID CHEMBL1233987
Name DIAMINOPYRIMIDINE
Phase Preclinical
Structure Type MOL
InChI Key YAAWASYJIRZXSZ-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

110.1
MW (Da)
-0.36
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C4H6N4
MW 110.12
Aromatic Rings 1
Heavy Atoms 8
NP-Likeness -0.23

Activity Summary

Ki 3 meas.
Kd 1 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA
CHEMBL2311222
Kd 4.1 4.1 80000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA Kd = 80000.0 nM 4.1 Binding affinity to RNA (unknown origin) by fluorescence based analysis 37186875

Literature References

PubMed DOI Target Context # Activities
32658475 10.1021/acs.jmedchem.0c00546 Unchecked 4
20606069 10.1128/aac.00361-10 Staphylococcus aureus 2
32658475 10.1021/acs.jmedchem.0c00546 Dihydrofolate reductase 1
37186875 10.1021/acs.jmedchem.3c00034 RNA 1

Data from ChEMBL 36 via Core Engine