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Compound Detail

CHEMBL3598289

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CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3598289
Phase Preclinical
Structure Type MOL
InChI Key XZOJHZVFJFVPSA-GTORQXKLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

860.0
MW (Da)
8.16
ALogP
15
HBA
4
HBD
227.7
PSA (Ų)
0.02
QED
3
Ro5 Violations
34
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H71FN5O11P
MW 860.01
Aromatic Rings 2
Heavy Atoms 59
NP-Likeness 0.57

Data from ChEMBL 36 via Core Engine