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Compound Detail

CHEMBL446507

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CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)N(C)C)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446507
Phase Preclinical
Structure Type MOL
InChI Key OGIDMPJSVXVDFP-ZJJDQQAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

917.1
MW (Da)
5.21
ALogP
12
HBA
3
HBD
166.2
PSA (Ų)
0.15
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H62F2N6O9
MW 917.06
Aromatic Rings 3
Heavy Atoms 66
NP-Likeness 1.06

Literature References

PubMed DOI Target Context # Activities
18653334 10.1016/j.bmcl.2008.07.025 A549 1

Data from ChEMBL 36 via Core Engine