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Compound Detail

CHEMBL1643979

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C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3OC)ncc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1643979
Phase Preclinical
Structure Type MOL
InChI Key BPEFCDBVGABAOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

523.0
MW (Da)
4.19
ALogP
8
HBA
2
HBD
108.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27ClN6O4
MW 522.99
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
21208802 10.1016/j.bmcl.2010.12.036 PC-9 2

Data from ChEMBL 36 via Core Engine