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Compound Detail

CHEMBL1075702

PROTOXYLOCARPIN H
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CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H](C4(O)OC4(C)C)C3)[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1075702
Name PROTOXYLOCARPIN H
Phase Preclinical
Structure Type MOL
InChI Key VAHZUXRWDAYHCB-HCEUJBAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
5.38
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H46O6
MW 526.71
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 3.48

Literature References

PubMed DOI Target Context # Activities
19908853 10.1021/np900640u NON-PROTEIN TARGET 2
19908853 10.1021/np900640u SW-620 1
19908853 10.1021/np900640u BT-474 1
19908853 10.1021/np900640u HepG2 1

Data from ChEMBL 36 via Core Engine