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Compound Detail

CHEMBL1197250

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CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3-c3ccccc31)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197250
Phase Preclinical
Structure Type MOL
InChI Key MVFGNQQJJQEHLD-OQNFHVEWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
5.03
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36NO3+
MW 434.60
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.67

Data from ChEMBL 36 via Core Engine