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Compound Detail

CHEMBL3707127

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CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CSCC(O)CO)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707127
Phase Preclinical
Structure Type MOL
InChI Key ZXMZLUAHNVVRDM-WLOUJZLXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
-2.58
ALogP
11
HBA
5
HBD
187.3
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N4O7S
MW 440.48
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 1.53

Literature References

PubMed DOI Target Context # Activities
8021918 10.1021/jm00038a008 HeLa 1

Data from ChEMBL 36 via Core Engine