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Compound Detail

CHEMBL1790299

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CC[C@H](C)[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1790299
Phase Preclinical
Structure Type MOL
InChI Key RYRMIVLXJDOCRL-FLKCQLHMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

530.6
MW (Da)
0.01
ALogP
7
HBA
6
HBD
182.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H38N4O8S
MW 530.64
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness -0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9873421 10.1016/s0960-894x(98)00299-6 NS3 1

Data from ChEMBL 36 via Core Engine