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Compound Detail

CHEMBL5028176

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C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028176
Phase Preclinical
Structure Type MOL
InChI Key AOHCBEAZXHZMOR-CYBMUJFWSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
1.87
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H19N2O2+
MW 247.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.77

Data from ChEMBL 36 via Core Engine