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Compound Detail

CHEMBL4096938

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C[C@H](CCC(=O)NCCN)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096938
Phase Preclinical
Structure Type MOL
InChI Key PJQVFKBWSMRJQG-LBSADWJPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.7
MW (Da)
3.47
ALogP
4
HBA
4
HBD
95.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H46N2O3
MW 434.67
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
28165241 10.1021/acs.jmedchem.6b01743 Autotaxin 1

Data from ChEMBL 36 via Core Engine