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Compound Detail

CHEMBL3991114

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O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H]([S+]([O-])c2cccc(Cl)c2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991114
Phase Preclinical
Structure Type MOL
InChI Key OSVOVHIYXDNBJQ-BNSHDHRGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.5
MW (Da)
5.95
ALogP
6
HBA
2
HBD
98.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21Cl2N3O3S2
MW 510.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine