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

CHEMBL4292177

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
COC(=O)[C@]12CC[C@@H](C(C)COC(=O)/C=C/c3ccccc3)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)NC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4292177
Phase Preclinical
Structure Type MOL
InChI Key GZKYASLQEUVGNT-DVFXINJYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

631.9
MW (Da)
8.00
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H57NO5
MW 631.90
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness 1.85

Literature References

PubMed DOI Target Context # Activities
29202408 10.1016/j.ejmech.2017.11.035 Mycobacterium tuberculosis 3

Data from ChEMBL 36 via Core Engine