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Compound Detail

CHEMBL53275

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O=C(O)CCNC(=O)c1cccc(C(=O)NCC2CCNCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53275
Phase Preclinical
Structure Type MOL
InChI Key GFTCLBJLVSQCRE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
0.62
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N3O4
MW 333.39
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.57

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80381-4 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine