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Compound Detail

CHEMBL329615

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CCCCCC1C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C(C)/C1=C(/O)OCCN(C)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329615
Phase Preclinical
Structure Type MOL
InChI Key ZRTPUCOSWVPGMB-QOSDPKFLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

561.8
MW (Da)
6.52
ALogP
7
HBA
1
HBD
74.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H47N3O4
MW 561.77
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11206476 10.1016/s0960-894x(00)00651-x KB 3-1 1
11206476 10.1016/s0960-894x(00)00651-x Mus musculus 1
11206476 10.1016/s0960-894x(00)00651-x Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine