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Compound Detail

CHEMBL436571

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C[C@@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(OCC(=O)O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436571
Phase Preclinical
Structure Type MOL
InChI Key BHOGTSLQMNCJHA-LLVKDONJSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
0.18
ALogP
5
HBA
4
HBD
145.8
PSA (Ų)
0.39
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 C18H24N4O5
MW 376.41
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.79

Activity Summary

IC50 3 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.05 5.99 900.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 900.0 nM 6.05 Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... 1447740
Unchecked IC50 = 1100.0 nM 5.96 Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... 1447740
Unchecked IC50 = 1100.0 nM 5.96 Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... 1447740

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