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Compound Detail

CHEMBL1089971

CYCLOTRYPROSTATIN A
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COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C[C@@H]2CCCN2C[C@@]1(O)[C@H]3O

Basic Information

ChEMBL ID CHEMBL1089971
Name CYCLOTRYPROSTATIN A
Phase Preclinical
Structure Type MOL
InChI Key YZJBCQWDGRNRAY-RIVOMEERSA-N

Known Names

12,13-Dihydroxyfumitremorgin C
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
1
Known Names

Molecular Properties

383.5
MW (Da)
2.70
ALogP
5
HBA
3
HBD
72.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O3
MW 383.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
20303767 10.1016/j.bmc.2010.02.034 Unchecked 3
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
22409377 10.1021/jf300146n Artemia salina 1
22409377 10.1021/jf300146n Fusarium graminearum 1
22409377 10.1021/jf300146n Fusarium oxysporum f. sp. vasinfectum 1
22409377 10.1021/jf300146n Fusarium oxysporum f. sp. niveum 1
22409377 10.1021/jf300146n Fusarium solani 1
22409377 10.1021/jf300146n Colletotrichum gloeosporioides 1
22409377 10.1021/jf300146n Alternaria alternata 1
22409377 10.1021/jf300146n Alternaria solani 1
22409377 10.1021/jf300146n Botrytis cinerea 1

Data from ChEMBL 36 via Core Engine