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Compound Detail

CHEMBL378835

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CC[C@@]1(C)Oc2cc(ccc2OC)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378835
Phase Preclinical
Structure Type MOL
InChI Key DPVHWZZAWVYSNR-IYXACIGFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
-0.30
ALogP
8
HBA
6
HBD
175.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N4O8
MW 508.57
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.46

Literature References

PubMed DOI Target Context # Activities
16837194 10.1016/j.bmcl.2006.06.071 Tubulin 1

Data from ChEMBL 36 via Core Engine