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Compound Detail

CHEMBL1910856

PF-03635659
🧪 Phase II
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🧪 Phase II
CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1910856
Name PF-03635659
Phase Phase II
Structure Type MOL
InChI Key WGOJWDWKHJHXSV-UHFFFAOYSA-N

Known Names

Pf-03635659 PF-3635659 Pf03635659
6
Targets
7
Activities
2
Assay Types
13
PK Parameters
13
Publications
3
Known Names
1
Indications

Molecular Properties

444.6
MW (Da)
4.49
ALogP
4
HBA
2
HBD
75.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C28H32N2O3
MW 444.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.05

Indications

Pulmonary Disease, Chronic Obstructive

Activity Summary

Ki 6 meas. best 9.94
IC50 1 meas. best 8.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 9.94 9.94 0.1 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 9.94 9.94 0.1 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 9.89 9.795 0.1 2
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 9.86 9.86 0.1 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 9.77 9.77 0.2 1
Muscarinic acetylcholine receptor M3
CHEMBL5498
 IC50 8.81 8.81 1.5 1

Pharmacokinetic Data

Parameter Value Units Species
CL 282.0 mL.min-1.g-1 Homo sapiens
CL 96.0 uL.min-1.(10^6cells)-1 Homo sapiens
CL 221.0 mL.min-1.g-1 Homo sapiens
CL 134.0 mL.min-1.kg-1 Rattus norvegicus
CL 2065.0 mL.min-1.kg-1 Rattus norvegicus
T1/2 24.0 hr Homo sapiens
T1/2 24.0 hr Homo sapiens
T1/2 13.97 hr Homo sapiens
T1/2 4.383 hr Homo sapiens
T1/2 9.783 hr Homo sapiens
T1/2 16.67 hr Homo sapiens
T1/2 83.3 hr -
T1/2 0.9 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M1 Ki = 0.115 nM 9.94 Displacement of [3H]-NMS from human recombinant M1 receptor expressed in CHO cel... 21870878
Muscarinic acetylcholine receptor M4 Ki = 0.115 nM 9.94 Displacement of [3H]-NMS from human recombinant M4 receptor expressed in CHO cel... 21870878
Muscarinic acetylcholine receptor M3 Ki = 0.128 nM 9.89 Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cel... 21870878
Muscarinic acetylcholine receptor M2 Ki = 0.137 nM 9.86 Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cel... 21870878
Muscarinic acetylcholine receptor M5 Ki = 0.169 nM 9.77 Displacement of [3H]-NMS from human recombinant M5 receptor expressed in CHO cel... 21870878
Muscarinic acetylcholine receptor M3 Ki = 0.2 nM 9.7 Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells a... 21870878
Muscarinic acetylcholine receptor M3 IC50 = 1.53 nM 8.81 Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig tracheal strips ... 21870878

Literature References

PubMed DOI Target Context # Activities
21870878 10.1021/jm200884j Muscarinic acetylcholine receptor M3 8
21870878 10.1021/jm200884j Canis familiaris 5
21870878 10.1021/jm200884j Rattus norvegicus 4
21870878 10.1021/jm200884j Liver microsomes 2
21870878 10.1021/jm200884j Hepatocyte 2
21870878 10.1021/jm200884j Muscarinic acetylcholine receptor M1 2
21870878 10.1021/jm200884j Muscarinic acetylcholine receptor M2 2
21870878 10.1021/jm200884j Muscarinic acetylcholine receptor M4 2
21870878 10.1021/jm200884j Muscarinic acetylcholine receptor M5 2
21870878 10.1021/jm200884j MDCK 2
21870878 10.1021/jm200884j Cavia porcellus 1
21870878 10.1021/jm200884j Molecular identity unknown 1
21870878 10.1021/jm200884j Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine