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Compound Detail

CHEMBL2303804

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CN(C)CCN1C(=O)c2cccc3cc(NCc4ccccc4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(c23)C1=O.Cl

Basic Information

ChEMBL ID CHEMBL2303804
Phase Preclinical
Structure Type MOL
InChI Key GMWVJGLNLZLIGP-DAJIWQPDSA-N
Parent Compound CHEMBL2303797
Active Moiety CHEMBL2303797
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

551.6
MW (Da)
0.79
ALogP
10
HBA
5
HBD
152.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34ClN3O8
MW 588.06
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
17658777 10.1021/jm070315q NON-PROTEIN TARGET 2
17658777 10.1021/jm070315q HCT-15 1
17658777 10.1021/jm070315q LoVo 1
17658777 10.1021/jm070315q A549 1
17658777 10.1021/jm070315q MCF7 1
17658777 10.1021/jm070315q Mus musculus 1
17658777 10.1021/jm070315q L1210 1

Data from ChEMBL 36 via Core Engine