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Compound Detail

CHEMBL377741

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[N-]=[N+]=Nc1ccc(I)cc1C(=O)NCCCC[C@H]1CC(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCC(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377741
Phase Preclinical
Structure Type MOL
InChI Key HTOXGXWFSVQOMS-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

854.3
MW (Da)
7.34
ALogP
6
HBA
4
HBD
165.5
PSA (Ų)
0.06
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31Br2IN6O5
MW 854.34
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
16854055 10.1021/jm050708u RyR1/FKBP12 1

Data from ChEMBL 36 via Core Engine