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Compound Detail

CHEMBL4460360

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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460360
Phase Preclinical
Structure Type MOL
InChI Key RWYUFFSYQKUPHX-IYXVXCLMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.7
MW (Da)
6.38
ALogP
5
HBA
0
HBD
84.2
PSA (Ų)
0.39
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H43NO4
MW 505.70
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 2.52

Literature References

PubMed DOI Target Context # Activities
30350996 10.1021/acs.jnatprod.8b00514 Hypoxia-inducible factor prolyl hydroxylase 1

Data from ChEMBL 36 via Core Engine