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Compound Detail

CHEMBL493331

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C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493331
Phase Preclinical
Structure Type MOL
InChI Key NXGNXTJVCQAXEF-VWLOTQADSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
4.11
ALogP
4
HBA
2
HBD
47.6
PSA (Ų)
0.42
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 C33H43FN5O+
MW 544.74
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine