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Compound Detail

CHEMBL437596

TETRAHYDROMANZAMINE A
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O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCCCCCC1)C[C@@]31C[C@@H]3CCCCCCN3[C@H]12

Basic Information

ChEMBL ID CHEMBL437596
Name TETRAHYDROMANZAMINE A
Phase Preclinical
Structure Type MOL
InChI Key RLKPOAPLTKGPPH-WVKCEPFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

552.8
MW (Da)
7.30
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H48N4O
MW 552.81
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 1.73

Literature References

PubMed DOI Target Context # Activities
20017491 10.1021/jm900672t NON-PROTEIN TARGET 5
17708655 10.1021/np060092r Glycogen synthase kinase-3 beta 2
18198837 10.1021/np0703702 Mycobacterium tuberculosis 2
18198837 10.1021/np0703702 NON-PROTEIN TARGET 2
20017491 10.1021/jm900672t Plasmodium falciparum 2
20017491 10.1021/jm900672t Mycobacterium intracellulare 1
20017491 10.1021/jm900672t Cryptococcus neoformans 1
20017491 10.1021/jm900672t Candida albicans 1
20017491 10.1021/jm900672t Mycobacterium tuberculosis 1
20017491 10.1021/jm900672t Vero 1

Data from ChEMBL 36 via Core Engine