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Compound Detail

CHEMBL2364318

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CCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2364318
Phase Preclinical
Structure Type MOL
InChI Key SDPQSLSZEYNULK-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
4.47
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.58
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 C26H29FN4O2
MW 448.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.87

Activity Summary

EC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Motilin receptor
CHEMBL2203
 EC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Motilin receptor EC50 = 0.3981 nM 9.4 SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed ... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL2364262 Motilin receptor 1

Data from ChEMBL 36 via Core Engine