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Compound Detail

CHEMBL3559031

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CC(=O)N[C@H]1[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc2cccc(NC(=O)CCCCC3CCSS3)c2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559031
Phase Preclinical
Structure Type MOL
InChI Key WUNLBMLIFDRCSI-ZUWZSGMISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

839.9
MW (Da)
-2.93
ALogP
19
HBA
13
HBD
326.5
PSA (Ų)
0.05
QED
3
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H53N3O17S2
MW 839.94
Aromatic Rings 1
Heavy Atoms 56
NP-Likeness 0.90

Data from ChEMBL 36 via Core Engine