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Compound Detail

CHEMBL1760483

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C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(C(N)=O)[C@H](O)[C@](C)(N=C=O)[C@@H]5CC[C@]43C)[C@H]12

Basic Information

ChEMBL ID CHEMBL1760483
Phase Preclinical
Structure Type MOL
InChI Key BAQXEDSBZVGWGP-MBOMCTSFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

496.7
MW (Da)
5.80
ALogP
4
HBA
2
HBD
92.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H48N2O3
MW 496.74
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.60

Literature References

PubMed DOI Target Context # Activities
21334793 10.1016/j.ejmech.2011.01.061 HL-60 1
21334793 10.1016/j.ejmech.2011.01.061 HeLa 1

Data from ChEMBL 36 via Core Engine