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Compound Detail

CHEMBL1178341

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C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178341
Phase Preclinical
Structure Type MOL
InChI Key UEJRWWYWBNGGBE-MNHJKZGYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
3.24
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.66
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 C22H32NO3+
MW 358.50
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.50

Data from ChEMBL 36 via Core Engine