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Compound Detail

CHEMBL328727

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O=C(O)CCNC(=O)c1cc2cc(OCC3CCNCC3)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL328727
Phase Preclinical
Structure Type MOL
InChI Key ATSALTVTBRMSNO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.75
ALogP
4
HBA
4
HBD
103.5
PSA (Ų)
0.61
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 C18H23N3O4
MW 345.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 1000.0 nM 6.0 Inhibition of ADP-induced platelet aggregation in human gel-filtered platelets -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10085-3 Homo sapiens 1
- 10.1016/S0960-894X(97)10085-3 Integrin alpha-IIb/beta-3 1
- 10.1016/S0960-894X(97)10085-3 Albumin 1

Data from ChEMBL 36 via Core Engine