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Compound Detail

CHEMBL252555

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CC[C@@]12C=C(C(=O)OCCO)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252555
Phase Preclinical
Structure Type MOL
InChI Key WBEVCQPAHIHTRP-IRLDBZIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.12
ALogP
5
HBA
1
HBD
54.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O3
MW 366.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
18183943 10.1021/jm070618k Rattus norvegicus 2
18183943 10.1021/jm070618k Brain 1

Data from ChEMBL 36 via Core Engine