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Compound Detail

CHEMBL2365308

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Cc1ccc(NC(=O)CSc2nnc([C@H](N)Cc3c[nH]c4ccccc34)o2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2365308
Phase Preclinical
Structure Type MOL
InChI Key HFGPIAHGJWWKDI-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
4.14
ALogP
6
HBA
3
HBD
109.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O2S
MW 421.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.79

Data from ChEMBL 36 via Core Engine