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Compound Detail

CHEMBL431832

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Cc1cccc(NC(=O)NC2N=C(N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc3N(C)C2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431832
Phase Preclinical
Structure Type MOL
InChI Key CNOGFXPZJZPWFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
3.42
ALogP
6
HBA
2
HBD
106.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N6O4
MW 506.61
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.12

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