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Compound Detail

CHEMBL5274592

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COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)N32)OCO4)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274592
Phase Preclinical
Structure Type MOL
InChI Key TUXWRLBDPYLUIB-YVEFUNNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

340.3
MW (Da)
2.29
ALogP
6
HBA
0
HBD
70.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O5
MW 340.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
36471625 10.1021/acs.jmedchem.2c01595 K562 1
36471625 10.1021/acs.jmedchem.2c01595 MCF7 1
36471625 10.1021/acs.jmedchem.2c01595 HT-29 1
36471625 10.1021/acs.jmedchem.2c01595 HCT-116 1

Data from ChEMBL 36 via Core Engine