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Compound Detail

CHEMBL1090073

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CC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1.O=CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1090073
Phase Preclinical
Structure Type MOL
InChI Key SXNYDVJMOUNQCX-NTISSMGPSA-N
Parent Compound CHEMBL1199010
Active Moiety CHEMBL1199010
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.65
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO3S
MW 355.46
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
20207139 10.1016/j.bmcl.2010.02.033 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 1

Data from ChEMBL 36 via Core Engine