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Compound Detail

CHEMBL4556686

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C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556686
Phase Preclinical
Structure Type MOL
InChI Key PKVHZOTWYMZSHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

680.3
MW (Da)
6.52
ALogP
9
HBA
4
HBD
117.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H42ClN9O2
MW 680.26
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
31935084 10.1021/acs.jmedchem.9b01502 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine