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Compound Detail

CHEMBL97226

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N=C(N)c1ccc2[nH]cc(C(=O)NCCCCCCC(=O)O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97226
Phase Preclinical
Structure Type MOL
InChI Key DFKPPACAEPPOSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.22
ALogP
3
HBA
5
HBD
132.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4O3
MW 330.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
9288166 10.1021/jm970020k Integrin alpha-IIb/beta-3 2
- 10.1016/0960-894X(95)00563-9 Integrin alpha-IIb/beta-3 1
- 10.1016/0960-894X(95)00563-9 Homo sapiens 1

Data from ChEMBL 36 via Core Engine