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Compound Detail

CHEMBL1089800

N-METHYL-6-METHOXYSPIROTRYPROSTATIN B
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COc1ccc2c(c1)N(C)C(=O)[C@@]21C=C2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1C=C(C)C

Basic Information

ChEMBL ID CHEMBL1089800
Name N-METHYL-6-METHOXYSPIROTRYPROSTATIN B
Phase Preclinical
Structure Type MOL
InChI Key BJEHAZOMBPUZRW-NVVBAYIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
1.97
ALogP
4
HBA
0
HBD
70.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O4
MW 407.47
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
20303767 10.1016/j.bmc.2010.02.034 Unchecked 2
20303767 10.1016/j.bmc.2010.02.034 Trypanosoma brucei brucei 1
20303767 10.1016/j.bmc.2010.02.034 Rhodesain 1
20303767 10.1016/j.bmc.2010.02.034 Jurkat 1

Data from ChEMBL 36 via Core Engine