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Compound Detail

CHEMBL1184012

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COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2C)CC(c2cccc(C(=N)N)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184012
Phase Preclinical
Structure Type MOL
InChI Key CMRZVMQGDIWUGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
2.66
ALogP
8
HBA
4
HBD
187.0
PSA (Ų)
0.19
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 C27H27N5O6S
MW 549.61
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.81

Data from ChEMBL 36 via Core Engine