Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL103750

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103750
Phase Preclinical
Structure Type MOL
InChI Key GJIUZUFTZYRFFF-UHFFFAOYSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
4.93
ALogP
3
HBA
2
HBD
81.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O3
MW 456.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.98

Activity Summary

Ki 8 meas. best 8.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor type A
CHEMBL2871
 Ki 8.81 6.845 1.5 4
Gastrin/cholecystokinin type B receptor
CHEMBL298
 Ki 8.81 7.92 1.5 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholecystokinin receptor type A Ki = 1.549 nM 8.81 Binding affinity was measured by its ability to displace [3H]CCK-8S from CCK-A r... -
Gastrin/cholecystokinin type B receptor Ki = 1.549 nM 8.81 In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B rece... 11020274
Gastrin/cholecystokinin type B receptor Ki = 4.169 nM 8.38 In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B rece... 11020274
Gastrin/cholecystokinin type B receptor Ki = 10.0 nM 8.0 In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B rece... 11020274
Cholecystokinin receptor type A Ki = 181.97 nM 6.74 In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A rece... 11020274
Gastrin/cholecystokinin type B receptor Ki = 323.59 nM 6.49 Binding affinity was measured by its ability to displace [3H]CCK-8S from CCK-B r... -
Cholecystokinin receptor type A Ki = 323.59 nM 6.49 In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A rece... 11020274
Cholecystokinin receptor type A Ki = 4570.88 nM 5.34 In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A rece... 11020274

Literature References

PubMed DOI Target Context # Activities
11020274 10.1021/jm990967h Cholecystokinin receptor type A 3
11020274 10.1021/jm990967h Gastrin/cholecystokinin type B receptor 3
11020274 10.1021/jm990967h Unchecked 3
- 10.1016/0960-894X(95)00528-2 Gastrin/cholecystokinin type B receptor 1
- 10.1016/0960-894X(95)00528-2 Cholecystokinin receptor type A 1
- 10.1016/0960-894X(95)00528-2 Cholecystokinin receptor 1

Data from ChEMBL 36 via Core Engine