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Compound Detail

CHEMBL102537

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Cc1cccc(NC(=O)NC2N=C(N3CCNCC3)c3ccccc3N(C)C2=O)c1

Basic Information

ChEMBL ID CHEMBL102537
Phase Preclinical
Structure Type MOL
InChI Key HMHLSSRHOIJRNX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
1.77
ALogP
5
HBA
3
HBD
89.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N6O2
MW 406.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gastrin/cholecystokinin type B receptor
CHEMBL298
IC50 6.06 6.06 880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00530-0 Cholecystokinin receptor type A 2
- 10.1016/0960-894X(95)00530-0 Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine