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Compound Detail

CHEMBL4302888

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N=C(N)NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302888
Phase Preclinical
Structure Type MOL
InChI Key PDPWYIOVFRFRBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
4.66
ALogP
7
HBA
5
HBD
125.5
PSA (Ų)
0.13
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O3S
MW 463.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine