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Compound Detail

CHEMBL441613

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O=C(O)CCNC(=O)c1cccc(C(=O)NCCC2CCNCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441613
Phase Preclinical
Structure Type MOL
InChI Key JMKOZWHJSUEFCU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
0.41
ALogP
5
HBA
4
HBD
120.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N4O4
MW 348.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.57

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80380-2 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine