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Compound Detail

CHEMBL3099778

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COc1ccccc1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099778
Phase Preclinical
Structure Type MOL
InChI Key ZAOHUDBTLMWIMN-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
4.33
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O4
MW 458.52
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.55

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