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Compound Detail

CHEMBL5277679

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CCN1C(=O)[C@@H]2Cc3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5277679
Phase Preclinical
Structure Type MOL
InChI Key QXVWTTVRMPKOAX-MGPUTAFESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
2.74
ALogP
7
HBA
0
HBD
86.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O7
MW 440.45
Aromatic Rings 2
Heavy Atoms 32
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