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Compound Detail

CHEMBL1627891

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CC(=O)Oc1cc2c(cc1OCC(F)(F)F)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627891
Phase Preclinical
Structure Type MOL
InChI Key CZHGPGQUUPKWLZ-PHUBBRROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
4.98
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27F3O6
MW 468.47
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 1.21

Literature References

PubMed DOI Target Context # Activities
9240348 10.1021/jm9700833 HOP-62 1
9240348 10.1021/jm9700833 HCT-116 1
9240348 10.1021/jm9700833 SF-539 1
9240348 10.1021/jm9700833 UACC-62 1
9240348 10.1021/jm9700833 OVCAR-3 1
9240348 10.1021/jm9700833 SN12C 1
9240348 10.1021/jm9700833 DU-145 1
9240348 10.1021/jm9700833 MDA-MB-435 1
9240348 10.1021/jm9700833 Panel (Carcinoma cell lines) 1
9240348 10.1021/jm9700833 Tubulin 1

Data from ChEMBL 36 via Core Engine