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Compound Detail

CHEMBL1627440

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CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(I)cc4[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627440
Phase Preclinical
Structure Type MOL
InChI Key YSTGAOMPENJTFN-BKRJIHRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

440.3
MW (Da)
4.78
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25IO3
MW 440.32
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.97

Literature References

PubMed DOI Target Context # Activities
7783135 10.1021/jm00012a003 Tubulin beta chain 2
7783135 10.1021/jm00012a003 HOP-62 1
7783135 10.1021/jm00012a003 HCT-116 1
7783135 10.1021/jm00012a003 SF-539 1
7783135 10.1021/jm00012a003 UACC-62 1
7783135 10.1021/jm00012a003 OVCAR-3 1
7783135 10.1021/jm00012a003 SN12C 1
7783135 10.1021/jm00012a003 DU-145 1
7783135 10.1021/jm00012a003 MDA-MB-435 1
7783135 10.1021/jm00012a003 Panel (Carcinoma cell lines) 1

Data from ChEMBL 36 via Core Engine