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Compound Detail

CHEMBL1926881

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CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccc(Cl)cc2)c2ccc(Br)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1926881
Phase Preclinical
Structure Type MOL
InChI Key NXCBLDPRJDFZIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

624.8
MW (Da)
7.48
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30BrCl3N4O
MW 624.84
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
22033460 10.1016/j.bmcl.2011.09.133 PBMC 1
22033460 10.1016/j.bmcl.2011.09.133 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine