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Compound Detail

CHEMBL1198653

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CCNC(=O)NCCCCNC(=O)c1cccc2c(NCCN(C)/C(S)=N/C)c3ccccc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198653
Phase Preclinical
Structure Type MOL
InChI Key PAEVEZFCJIHZTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
3.48
ALogP
5
HBA
5
HBD
110.8
PSA (Ų)
0.09
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N7O2S
MW 509.68
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine