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Compound Detail

CHEMBL3315211

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C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3315211
Phase Preclinical
Structure Type MOL
InChI Key WOEBDBHQIKUGLD-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.45
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O3
MW 373.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
24997685 10.1016/j.bmcl.2014.06.033 Neurotensin receptor type 1 1

Data from ChEMBL 36 via Core Engine