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Compound Detail

CHEMBL577951

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O=C1CN(Cc2ccc(CNCc3ccccn3)cc2)CCc2cccc(n2)CCCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL577951
Phase Preclinical
Structure Type MOL
InChI Key CAFIBGSSWCFAHQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
3.65
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.59
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 C28H35N5O
MW 457.62
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.89

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20043638 10.1021/jm901530b Human immunodeficiency virus 1 1
20043638 10.1021/jm901530b MT4 1

Data from ChEMBL 36 via Core Engine