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Compound Detail

CHEMBL1179965

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CC[n+]1c(/C=c2\s/c(=C3/Sc4ccccc4N3C)c(=O)n2-c2ccccc2)sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179965
Phase Preclinical
Structure Type MOL
InChI Key FZSPDMLXFFVDNW-IMVLJIQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.7
MW (Da)
4.56
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.34
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 C27H22N3OS3+
MW 500.69
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine