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Compound Detail

CHEMBL1179790

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OCCc1ccc(C2(c3ccc(CCO)s3)CC3c4ccccc4C2c2cccc[n+]23)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179790
Phase Preclinical
Structure Type MOL
InChI Key BDQGAGHHKAEYFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
4.59
ALogP
4
HBA
2
HBD
44.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26NO2S2+
MW 460.64
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine