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Compound Detail

CHEMBL2368157

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Cc1cccc2c1OP(=O)(OC[C@H]1O[C@@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)C[C@@H]1OC(=O)CC(C)C)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368157
Phase Preclinical
Structure Type MOL
InChI Key HDIQFRRSMRWOKQ-YWYGCHESSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
5
Publications
0
Known Names

Molecular Properties

599.4
MW (Da)
4.19
ALogP
10
HBA
1
HBD
135.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28BrN2O9P
MW 599.37
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.58

Pharmacokinetic Data

Parameter Value Units Species
T1/2 4.89 - -
T1/2 9.0 - -

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
12408726 10.1021/jm0209275 Unchecked 1

Data from ChEMBL 36 via Core Engine