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Compound Detail

CHEMBL1789879

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COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789879
Phase Preclinical
Structure Type MOL
InChI Key FDVHRNJEBIWFEM-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
4.39
ALogP
7
HBA
3
HBD
88.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O4S
MW 479.60
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine