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Compound Detail

CHEMBL55735

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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(Cl)C(=O)C(C)(C)[C@@H]5CC[C@]43C)C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55735
Phase Preclinical
Structure Type MOL
InChI Key DSHFGRTZMGJPGX-PEKWGEHZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.1
MW (Da)
7.78
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H43ClO3
MW 487.12
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 2.88

Literature References

PubMed DOI Target Context # Activities
10794703 10.1021/jm000008j Mus musculus 1
10617085 10.1016/s0960-894x(99)00623-x Mus musculus 1

Data from ChEMBL 36 via Core Engine