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Compound Detail

CHEMBL2017878

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CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](OC(=O)n2ccnc2)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](OC(=O)n5ccnc5)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017878
Phase Preclinical
Structure Type MOL
InChI Key KGHLBSSNRFQNLW-VUCWPRCNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

748.9
MW (Da)
5.50
ALogP
14
HBA
1
HBD
186.0
PSA (Ų)
0.20
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H52N4O10
MW 748.87
Aromatic Rings 2
Heavy Atoms 54
NP-Likeness 1.84

Literature References

PubMed DOI Target Context # Activities
22472043 10.1016/j.bmc.2012.03.001 A549 2

Data from ChEMBL 36 via Core Engine