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Compound Detail

CHEMBL1619553

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CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2cc(C)c(C)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1619553
Phase Preclinical
Structure Type MOL
InChI Key LHQFSVNOINPHTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.6
MW (Da)
6.00
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N2S+
MW 375.56
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine