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Compound Detail

CHEMBL592971

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C=C(C)[C@@H]1CC[C@]2(COC(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592971
Phase Preclinical
Structure Type MOL
InChI Key POJQUEKYKJIDCK-FIZYQLFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

630.9
MW (Da)
8.78
ALogP
8
HBA
0
HBD
88.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H54N4O4
MW 630.87
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness 2.05

Literature References

PubMed DOI Target Context # Activities
19674909 10.1016/j.bmc.2009.07.050 HepG2 1
19674909 10.1016/j.bmc.2009.07.050 Jurkat 1
19674909 10.1016/j.bmc.2009.07.050 HeLa 1

Data from ChEMBL 36 via Core Engine