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Compound Detail

CHEMBL5400260

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COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCNCC1

Basic Information

ChEMBL ID CHEMBL5400260
Phase Preclinical
Structure Type MOL
InChI Key RCTKPVIQGCCIMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
0.29
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N6O3S
MW 364.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.61

Activity Summary

Ki 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bone morphogenetic protein receptor type-2
CHEMBL5467
Ki 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36719862 10.1021/acs.jmedchem.2c01886 Bone morphogenetic protein receptor type-2 1

Data from ChEMBL 36 via Core Engine