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Compound Detail

CHEMBL573027

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COC(=O)N[C@H](C(=O)NN(CC[C@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(Br)cc1)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL573027
Phase Preclinical
Structure Type MOL
InChI Key YIGWEZGHVPDQGX-OYTZIAQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

695.6
MW (Da)
4.19
ALogP
7
HBA
5
HBD
140.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H43BrN4O6
MW 695.65
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
19961222 10.1021/jm901165g Protease 1
19961222 10.1021/jm901165g Human immunodeficiency virus 1 1
19961222 10.1021/jm901165g MT4 1

Data from ChEMBL 36 via Core Engine