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Compound Detail

CHEMBL1558203

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O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)NNC(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1558203
Phase Preclinical
Structure Type MOL
InChI Key XNKOAJASJIXOFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

538.4
MW (Da)
4.01
ALogP
7
HBA
3
HBD
109.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20BrN5O3S
MW 538.43
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.99

Data from ChEMBL 36 via Core Engine