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Compound Detail

CHEMBL5813817

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CC1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2F)C(=O)N1c1ccc(-c2cccnc2P(C)(C)=O)c(F)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5813817
Phase Preclinical
Structure Type MOL
InChI Key NZRGVTHWFASRIM-GAGCMDECSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

584.5
MW (Da)
5.75
ALogP
4
HBA
2
HBD
91.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F6N4O3P
MW 584.46
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.12

Activity Summary

EC50 8 meas. best 9.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 9.11 9.055 0.8 4
fMet-Leu-Phe receptor
CHEMBL3359
 EC50 7.62 7.21 24.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 0.78 nM 9.11 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
N-formyl peptide receptor 2 EC50 = 0.78 nM 9.11 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -
N-formyl peptide receptor 2 EC50 = 1.0 nM 9.0 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
N-formyl peptide receptor 2 EC50 = 1.0 nM 9.0 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -
fMet-Leu-Phe receptor EC50 = 24.0 nM 7.62 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
fMet-Leu-Phe receptor EC50 = 24.0 nM 7.62 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -
fMet-Leu-Phe receptor EC50 = 160.0 nM 6.8 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
fMet-Leu-Phe receptor EC50 = 160.0 nM 6.8 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -

Data from ChEMBL 36 via Core Engine