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Compound Detail

CHEMBL104228

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CN(C)CCNC(=O)c1ccc(NCCN(C)CCNc2ccc(C(=O)NCCN(C)C)c3nc4ccc(O)cc4c(O)c23)c2c(O)c3cc(O)ccc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104228
Phase Preclinical
Structure Type MOL
InChI Key XIWBQKQDZZRIHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

763.9
MW (Da)
3.95
ALogP
13
HBA
8
HBD
198.7
PSA (Ų)
0.07
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H49N9O6
MW 763.90
Aromatic Rings 6
Heavy Atoms 56
NP-Likeness -0.45

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