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Compound Detail

CHEMBL328144

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Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)c1cccc(Br)c1)[C@@H]3OC(=O)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328144
Phase Preclinical
Structure Type MOL
InChI Key MWTCFSMWIKCORH-CLJLJLNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

642.3
MW (Da)
6.92
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22Br2O7
MW 642.30
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
10411486 10.1021/jm9900624 Human immunodeficiency virus 1 1
10411486 10.1021/jm9900624 H9 1
10411486 10.1021/jm9900624 ADMET 1

Data from ChEMBL 36 via Core Engine