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Compound Detail

CHEMBL1956159

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COP(=O)(OC)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956159
Phase Preclinical
Structure Type MOL
InChI Key CJPNCHUACBVVPL-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.6
MW (Da)
2.98
ALogP
8
HBA
3
HBD
132.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N3O7PS
MW 539.59
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
22185640 10.1021/jm2013826 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine