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Compound Detail

CHEMBL106830

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CN(C)CCNc1cc(C(=O)NCCCNC(=O)c2ccc(NCCN(C)C)c3c(O)c4ccccc4nc23)cc2nc3ccccc3c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106830
Phase Preclinical
Structure Type MOL
InChI Key DWOLQDFMOWXBDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

688.8
MW (Da)
5.00
ALogP
10
HBA
6
HBD
155.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H44N8O4
MW 688.83
Aromatic Rings 6
Heavy Atoms 51
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
12825949 10.1021/jm030820x ADMET 3
12825949 10.1021/jm030820x Homo sapiens 1

Data from ChEMBL 36 via Core Engine