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Compound Detail

CHEMBL1190372

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Oc1ccc(-c2sc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190372
Phase Preclinical
Structure Type MOL
InChI Key SGGUFWNHZPVKPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
6.44
ALogP
5
HBA
2
HBD
52.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO3S
MW 459.61
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine