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Compound Detail

CHEMBL1771733

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COc1cc(C(=O)c2cc(C#Cc3ccc(C)cc3)sc2N)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1771733
Phase Preclinical
Structure Type MOL
InChI Key AYNVDUVWQZOHEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
4.30
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO4S
MW 407.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
21146985 10.1016/j.bmcl.2010.11.083 NON-PROTEIN TARGET 3
21146985 10.1016/j.bmcl.2010.11.083 L1210 1
21146985 10.1016/j.bmcl.2010.11.083 HeLa 1

Data from ChEMBL 36 via Core Engine