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Compound Detail

CHEMBL136088

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N=C(N)c1ccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL136088
Phase Preclinical
Structure Type MOL
InChI Key FFZQRPHCKNQLFI-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
1.41
ALogP
4
HBA
4
HBD
125.5
PSA (Ų)
0.43
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 C18H19N3O4
MW 341.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.60

Activity Summary

IC50 3 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.52 6.3067 300.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1447740 10.1021/jm00101a017 Unchecked 3
1447740 10.1021/jm00101a017 Integrin alpha-IIb/beta-3 1
1447740 10.1021/jm00101a017 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine