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Compound Detail

CHEMBL338217

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CC(=O)Nc1ccc(CCC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338217
Phase Preclinical
Structure Type MOL
InChI Key RMQZNTDRZMBPRP-AREMUKBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
3.53
ALogP
4
HBA
2
HBD
90.9
PSA (Ų)
0.60
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 C27H26N4O3
MW 454.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
9397166 10.1021/jm970517u Unchecked 1
9397166 10.1021/jm970517u Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine