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Compound Detail

CHEMBL4436500

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CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1.N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436500
Phase Preclinical
Structure Type MOL
InChI Key ILRKKHJEINIICQ-UHFFFAOYSA-N
Parent Compound CHEMBL3188637
Active Moiety CHEMBL3188637
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

822.9
MW (Da)
2.25
ALogP
13
HBA
8
HBD
267.0
PSA (Ų)
0.17
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H65NO16
MW 839.97
Aromatic Rings 0
Heavy Atoms 58
NP-Likeness 2.52

Literature References

PubMed DOI Target Context # Activities
27411733 10.1021/acs.jmedchem.6b00698 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine