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Compound Detail

CHEMBL1178344

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C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178344
Phase Preclinical
Structure Type MOL
InChI Key QIHOSXXXBYCOFG-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.24
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
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 C21H32NO3+
MW 346.49
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.25

Data from ChEMBL 36 via Core Engine