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Compound Detail

CHEMBL1094841

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N=c1oc2ccccc2cc1C(=O)NCCCNC(=O)c1cc2ccccc2oc1=N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094841
Phase Preclinical
Structure Type MOL
InChI Key DQVJHYVMGOLWKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
2.69
ALogP
6
HBA
4
HBD
132.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O4
MW 416.44
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
20426422 10.1021/jm100119c Unchecked 2

Data from ChEMBL 36 via Core Engine