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Compound Detail

CHEMBL4594774

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CC(C)C[C@H](NC(=O)OC1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594774
Phase Preclinical
Structure Type MOL
InChI Key ZOXIMPKMBVMIOP-DQEYMECFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

671.9
MW (Da)
3.22
ALogP
9
HBA
5
HBD
196.7
PSA (Ų)
0.07
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H41N7O6S2
MW 671.85
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine