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Compound Detail

CHEMBL2368152

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CCCCCCCCCCC(=O)O[C@H]1C[C@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@@H]1COP1(=O)OCc2cccc(C)c2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368152
Phase Preclinical
Structure Type MOL
InChI Key XLQYCUAWJYGBTC-XFPHKOGISA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

683.5
MW (Da)
6.67
ALogP
10
HBA
1
HBD
135.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40BrN2O9P
MW 683.53
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 0.50

Pharmacokinetic Data

Parameter Value Units Species
T1/2 14.8 - -
T1/2 16.0 - -

Literature References

PubMed DOI Target Context # Activities
12408726 10.1021/jm0209275 ADMET 2
12408726 10.1021/jm0209275 No relevant target 1
12408726 10.1021/jm0209275 Nucleic Acid 1
12408726 10.1021/jm0209275 P3HR-1 1

Data from ChEMBL 36 via Core Engine