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Compound Detail

CHEMBL4081567

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CC(c1ccc2nc(-c3cnn(C)c3)ccc2c1)n1nnc2ncc(-c3ccc(N)cc3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081567
Phase Preclinical
Structure Type MOL
InChI Key PNEGHZPGQLAJFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.03
ALogP
9
HBA
1
HBD
113.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N9
MW 447.51
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
28411455 10.1016/j.ejmech.2017.03.085 Hepatocyte growth factor receptor 1
28411455 10.1016/j.ejmech.2017.03.085 NCI-H1993 1
28411455 10.1016/j.ejmech.2017.03.085 SNU-5 1

Data from ChEMBL 36 via Core Engine