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Compound Detail

CHEMBL418424

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C#C[C@H](CC(=O)O)NC(=O)c1cc2n(n1)CCN(CCC1CCNCC1)C2=O

Basic Information

ChEMBL ID CHEMBL418424
Phase Preclinical
Structure Type MOL
InChI Key YRUUPOAKAPZUGB-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
-0.07
ALogP
6
HBA
3
HBD
116.6
PSA (Ų)
0.56
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 C19H25N5O4
MW 387.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 120.0 nM 6.92 Concentration required for 50% inhibition of platelet aggregation of human gel-f... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00256-4 Homo sapiens 1

Data from ChEMBL 36 via Core Engine