Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1627843

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)Nc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627843
Phase Preclinical
Structure Type MOL
InChI Key OTXRCAQCQCRBNZ-BKRJIHRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.57
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.69
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 C20H27NO3
MW 329.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.40

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