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Compound Detail

CHEMBL4778383

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CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778383
Phase Preclinical
Structure Type MOL
InChI Key VEBKZNFIUJLCFB-LQPYQXOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

772.0
MW (Da)
1.04
ALogP
9
HBA
8
HBD
247.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H61N9O6S
MW 772.03
Aromatic Rings 2
Heavy Atoms 54
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
33479633 10.1039/c9md00489k BXPC-3 1
33479633 10.1039/c9md00489k Equilibrative nucleoside transporter 1 1
33479633 10.1039/c9md00489k MCF7 1
33479633 10.1039/c9md00489k PC-3 1

Data from ChEMBL 36 via Core Engine