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Compound Detail

CHEMBL464197

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CCCCCCCCCCCCCC1=C(O)C(=O)C=C(NCCCC(=O)O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464197
Phase Preclinical
Structure Type MOL
InChI Key BLRBGSXHZIXFDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

407.6
MW (Da)
4.99
ALogP
5
HBA
3
HBD
103.7
PSA (Ų)
0.23
QED
0
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H37NO5
MW 407.55
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 1.15

Literature References

PubMed DOI Target Context # Activities
23190044 10.1021/np3007099 NON-PROTEIN TARGET 3
23190044 10.1021/np3007099 GM15850 2
17125236 10.1021/np060284m A549 1
17125236 10.1021/np060284m A2780 1
17125236 10.1021/np060284m Bel-7402 1
17125236 10.1021/np060284m BGC-823 1
17125236 10.1021/np060284m HCT-8 1
17125236 10.1021/np060284m Tyrosine-protein phosphatase non-receptor type 1 1
17125236 10.1021/np060284m Prothrombin 1
23190044 10.1021/np3007099 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine