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Compound Detail

CHEMBL277245

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CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1

Basic Information

ChEMBL ID CHEMBL277245
Phase Preclinical
Structure Type MOL
InChI Key HLCHRSFXEXAMLU-YDQNRGGDSA-N

Known Names

Ro-24-0238
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names

Molecular Properties

420.6
MW (Da)
6.14
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N2O2
MW 420.60
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.10

Activity Summary

IC50 3 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 7.4 7.4 40.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2754709 10.1021/jm00128a026 Cavia porcellus 5
2002463 10.1021/jm00107a048 Platelet-activating factor receptor 4
2754709 10.1021/jm00128a026 Platelet-activating factor receptor 3
2754709 10.1021/jm00128a026 Rattus norvegicus 2
- 10.1016/S0960-894X(01)81205-1 Platelet-activating factor receptor 1
2002463 10.1021/jm00107a048 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine