Details of the Drug

General Information of Drug (ID: DMD01GK)

Drug Name

NPC-17923

Synonyms

147960-65-4; N-(9H-(2,7-Dichlorofluorenyl)-9-ethoxycarbonyl)-4-aminobenzoic acid; Benzoic acid, 4-((3-((2,7-dichloro-9H-fluoren-9-yl)oxy)-1-oxopropyl)amino)-

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

442.3

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H17Cl2NO4
IUPAC Name: 4-[3-[(2,7-dichloro-9H-fluoren-9-yl)oxy]propanoylamino]benzoic acid
Canonical SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)CCOC2C3=C(C=CC(=C3)Cl)C4=C2C=C(C=C4)Cl
InChI: InChI=1S/C23H17Cl2NO4/c24-14-3-7-17-18-8-4-15(25)12-20(18)22(19(17)11-14)30-10-9-21(27)26-16-5-1-13(2-6-16)23(28)29/h1-8,11-12,22H,9-10H2,(H,26,27)(H,28,29)
InChIKey: JTYWUQLFBWFIEV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9824607
CAS Number: 147960-65-4
TTD ID: D0Z3AK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cell adhesion molecule (CADM)	TTD26RC	NOUNIPROTAC	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002734)
2	Inhibition of platelet-activating factor-induced leukocyte adhesion in vivo by a leumedin. Eur J Pharmacol. 1993 Mar 2;232(2-3):169-72.