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Compound Detail

CHEMBL3315220

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COC(=O)[C@@H](CC(C)C)NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3315220
Phase Preclinical
Structure Type MOL
InChI Key AXHVLXSWTXVPKP-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
5.17
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2O3
MW 428.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.73

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