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Compound Detail

CHEMBL3099779

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CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3ccccc23)c(-c2ccccc2)n1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099779
Phase Preclinical
Structure Type MOL
InChI Key BVSRWZIQRFETGU-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.32
ALogP
5
HBA
2
HBD
97.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4O3
MW 428.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
24332089 10.1016/j.bmcl.2013.11.026 Neurotensin receptor type 1 1

Data from ChEMBL 36 via Core Engine