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Compound Detail

CHEMBL2220496

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CC[N+](C)(CC)CCN1C(=O)c2ccc3c4cccc5cccc(c6ccc(c2c36)C1=O)c54
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220496
Phase Preclinical
Structure Type MOL
InChI Key QCMQXLOYJDNASI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
5.82
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27N2O2+
MW 435.55
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine