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Compound Detail

CHEMBL106947

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CCCCOC(=O)NC(=N)c1ccc(C(=O)N[C@@H](C)C(=O)N2CCC(OCC(=O)OCC)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106947
Phase Preclinical
Structure Type MOL
InChI Key ORLUYIVGBLIWDQ-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
2.23
ALogP
8
HBA
3
HBD
147.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N4O7
MW 504.58
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
8759635 10.1021/jm9509298 Homo sapiens 2
8759635 10.1021/jm9509298 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine