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Compound Detail

CHEMBL1770464

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Cc1nc(C(=O)[C@H](C)Oc2ccc(SCCCCCc3ccccc3)cc2)sc1CCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1770464
Phase Preclinical
Structure Type MOL
InChI Key RWIZIVMQIZHTSD-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
7.01
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33NO4S2
MW 511.71
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.81

Pharmacokinetic Data

Parameter Value Units Species
CL - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
21450464 10.1016/j.bmcl.2011.03.005 Unchecked 2
21450464 10.1016/j.bmcl.2011.03.005 Liver 1
21450464 10.1016/j.bmcl.2011.03.005 Hepatocyte 1
- 10.6019/CHEMBL3301361 No relevant target 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine