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Compound Detail

CHEMBL1643991

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C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1643991
Phase Preclinical
Structure Type MOL
InChI Key MEKLTYPHUYUURO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

529.4
MW (Da)
5.20
ALogP
8
HBA
2
HBD
91.8
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26Cl2N6O3
MW 529.43
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.33

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