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Compound Detail

CHEMBL455602

CITPRESSINE II
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COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455602
Name CITPRESSINE II
Phase Preclinical
Structure Type MOL
InChI Key OQMSMWRXIZYYNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
2.12
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.71
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 C16H15NO5
MW 301.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
10217715 10.1021/np980504z A549 1
10217715 10.1021/np980504z B16 1
10217715 10.1021/np980504z CCRF-HSB-2 1
10217715 10.1021/np980504z TGBC11TKB 1

Data from ChEMBL 36 via Core Engine