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Compound Detail

CHEMBL5028875

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CC1CCN(CCCN2/C(=C/c3cc(/C=C/c4ccc(N(C)C)cc4)[n+](C)c4ccccc34)Sc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028875
Phase Preclinical
Structure Type MOL
InChI Key IIUVHUQECSDDAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

575.9
MW (Da)
7.93
ALogP
4
HBA
0
HBD
13.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H43N4S+
MW 575.85
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine