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Compound Detail

CHEMBL4460506

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CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OCC)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(OC)ccc2[nH]1)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460506
Phase Preclinical
Structure Type MOL
InChI Key QOKRGEHXMDIMMZ-QMOZSOIISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

702.8
MW (Da)
3.11
ALogP
10
HBA
4
HBD
191.2
PSA (Ų)
0.09
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H42N4O10
MW 702.76
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
30856332 10.1021/acs.jmedchem.9b00147 Catenin beta-1 8
30856332 10.1021/acs.jmedchem.9b00147 SW480 1
30856332 10.1021/acs.jmedchem.9b00147 HCT-116 1
30856332 10.1021/acs.jmedchem.9b00147 MDA-MB-231 1
30856332 10.1021/acs.jmedchem.9b00147 MDA-MB-468 1
30856332 10.1021/acs.jmedchem.9b00147 BT-20 1
30856332 10.1021/acs.jmedchem.9b00147 A549 1

Data from ChEMBL 36 via Core Engine