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Compound Detail

CHEMBL2179582

PF-03382792
Phase I
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Phase I
CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2179582
Name PF-03382792
Phase Phase I
Structure Type MOL
InChI Key AGMOFKKOVMRGAK-UHFFFAOYSA-N

Known Names

Pf-03382792
3
Targets
14
Activities
2
Assay Types
8
PK Parameters
11
Publications
1
Known Names

Molecular Properties

433.5
MW (Da)
2.41
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C23H32FN3O4
MW 433.52
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.77

Activity Summary

EC50 7 meas. best 9.1
Ki 7 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
 EC50 9.1 8.99 0.8 4
5-hydroxytryptamine receptor 4
CHEMBL4317
 EC50 8.94 8.81 1.1 3
5-hydroxytryptamine receptor 4
CHEMBL1875
 Ki 8.57 8.32 2.7 4
5-hydroxytryptamine receptor 4
CHEMBL4317
 Ki 8.41 8.41 3.9 1
Unchecked
CHEMBL612545
 Ki 8.32 8.185 4.8 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 598.69 ng.hr.mL-1 Rattus norvegicus
CL 104.5 mL.min-1.kg-1 Rattus norvegicus
CL 42.7 mL.min-1.kg-1 Rattus norvegicus
CL 35.4 mL.min-1.kg-1 Canis lupus familiaris
CL 25.4 mL.min-1.kg-1 Homo sapiens
CL 12.4 mL.min-1.kg-1 Canis lupus familiaris
F 100.0 % Rattus norvegicus
F 51.0 % Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 4 EC50 = 0.8 nM 9.1 Agonist activity at human 5HT4A receptor expressed in HEK293 cells assessed as i... 22974325
5-hydroxytryptamine receptor 4 EC50 = 0.9 nM 9.05 Agonist activity at human 5HT4D receptor expressed in HEK293 cells assessed as c... 22974325
5-hydroxytryptamine receptor 4 EC50 = 1.15 nM 8.94 Agonist activity at rat 5HT4S receptor expressed in HEK293 cells assessed as inc... 22974325
5-hydroxytryptamine receptor 4 EC50 = 1.2 nM 8.92 Agonist activity at human 5HT4E receptor expressed in HEK293 cells assessed as i... 22974325
5-hydroxytryptamine receptor 4 EC50 = 1.3 nM 8.89 Agonist activity at human 5HT4B receptor expressed in HEK293 cells assessed as i... 22974325
5-hydroxytryptamine receptor 4 EC50 = 1.52 nM 8.82 Agonist activity at rat 5HT4L receptor expressed in HEK293 cells assessed as inc... 22974325
5-hydroxytryptamine receptor 4 EC50 = 2.15 nM 8.67 Agonist activity at rat 5HT4E receptor expressed in HEK293 cells assessed as inc... 22974325
5-hydroxytryptamine receptor 4 Ki = 2.7 nM 8.57 Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells... 22974325
5-hydroxytryptamine receptor 4 Ki = 3.9 nM 8.41 Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 3... 22974325
5-hydroxytryptamine receptor 4 Ki = 4.6 nM 8.34 Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells... 22974325
Unchecked Ki = 4.8 nM 8.32 Displacement of [3H]GR113808 from 5HT4 receptor in dog striatal membrane after 3... 22974325
5-hydroxytryptamine receptor 4 Ki = 6.3 nM 8.2 Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells af... 22974325
5-hydroxytryptamine receptor 4 Ki = 6.8 nM 8.17 Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells... 22974325
Unchecked Ki = 8.9 nM 8.05 Displacement of [3H]GR113808 from 5HT4 receptor in monkey striatal membrane afte... 22974325

Literature References

PubMed DOI Target Context # Activities
22974325 10.1021/jm300953p 5-hydroxytryptamine receptor 4 20
22974325 10.1021/jm300953p Rattus norvegicus 10
22974325 10.1021/jm300953p Canis familiaris 6
22974325 10.1021/jm300953p Plasma 2
22974325 10.1021/jm300953p Liver microsomes 2
22974325 10.1021/jm300953p Unchecked 2
22974325 10.1021/jm300953p Nucleic Acid 2
22974325 10.1021/jm300953p ADMET 2
22974325 10.1021/jm300953p Brain 1
22974325 10.1021/jm300953p Liver 1
22974325 10.1021/jm300953p MDCK 1

Data from ChEMBL 36 via Core Engine