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Compound Detail

CHEMBL123335

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CC1(C)Oc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2[C@@H](/N=C(\NC#N)Nc2ccc(Cl)cc2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123335
Phase Preclinical
Structure Type MOL
InChI Key UUKCZLAMIGEVQU-WDYNHAJCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

608.2
MW (Da)
5.10
ALogP
6
HBA
3
HBD
127.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34ClN5O4S
MW 608.16
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
10479302 10.1021/jm990196h Rattus norvegicus 2
10479302 10.1021/jm990196h Unchecked 1

Data from ChEMBL 36 via Core Engine