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Compound Detail

CHEMBL355776

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CC(=O)N[C@@H](Cc1ccc(C(C(=O)O)C(=O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc23)CCCCC1

Basic Information

ChEMBL ID CHEMBL355776
Phase Preclinical
Structure Type MOL
InChI Key ZNHFIPFVJSDHFT-KYJUHHDHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

715.8
MW (Da)
2.07
ALogP
7
HBA
7
HBD
234.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H45N5O9
MW 715.80
Aromatic Rings 3
Heavy Atoms 52
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth factor receptor-bound protein 2
CHEMBL3663
IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10715157 10.1021/jm9904248 Growth factor receptor-bound protein 2 1

Data from ChEMBL 36 via Core Engine