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Compound Detail

CHEMBL2021673

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COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021673
Phase Preclinical
Structure Type MOL
InChI Key QDCAJVSXNYAGPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

585.8
MW (Da)
7.20
ALogP
7
HBA
2
HBD
102.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H43N3O5
MW 585.75
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine