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Compound Detail

CHEMBL4850463

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O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3ccc(N4CCCC4)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850463
Phase Preclinical
Structure Type MOL
InChI Key JDFVLMNBLQPMHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
5.67
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O2
MW 425.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
34606263 10.1021/acs.jmedchem.1c01006 Macrophage colony-stimulating factor 1 receptor 1
34606263 10.1021/acs.jmedchem.1c01006 Aurora kinase A 1
34606263 10.1021/acs.jmedchem.1c01006 Aurora kinase B 1

Data from ChEMBL 36 via Core Engine