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Compound Detail

CHEMBL1835751

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Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)nn1-c1ccccn1

Basic Information

ChEMBL ID CHEMBL1835751
Phase Preclinical
Structure Type MOL
InChI Key NIPJQRGYPGKSQY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.09
ALogP
9
HBA
2
HBD
103.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N7O2
MW 395.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.93

Activity Summary

Ki 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 7.92 7.92 12.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 67.2 mL.min-1.kg-1 Rattus norvegicus
T1/2 0.93 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21970471 10.1021/jm200712h Unchecked 13
21970471 10.1021/jm200712h Rattus norvegicus 2
21970471 10.1021/jm200712h Receptor-type tyrosine-protein kinase FLT3 1
21970471 10.1021/jm200712h Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine