UCSF

ZINC03978029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 27 No

Popular Name: Clindamycin Clindamycin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18323-44-9 , 21462-39-5 , 21462-39-5, 58207-19-5 [m , 58207-19-5

Other Names:

(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide

13441-63-9

16669-21-9

18323-44-9

18323-44-9; C06914; Clindamycin

21462-39-5 (mono-hydrochloride)

21462-39-5; Cleocin hydrochloride (TN); Clindamycin hydrochloride (JP16/USP); D02132; Dalacin (TN)

24620-78-8

24696-19-3

58207-19-5

688

7(S)-Chloro-7-deoxylincomycin

7(S)-Chloro-7-deoxylincomycin; 7-CDL; 7-Chloro-7-deoxylincomycin; 7-Chlorolincomycin; 7-Deoxy-7(S)-chlorolincomycin; C18H33ClN2O5S; CLEOCIN; CLEOCIN HCL; CLINDAMYCIN HCL; CLINDAMYCIN HYDROCHLORIDE; Chlolincocin; Chlorlincocin; Clindamicina [INN-Spanish]

7(S)-Chloro-7-deoxylincomycin; 7-CDL; Cleocin (TN); Clindamycin; Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside

7-CDL

7-Chloro-7-deoxylincomycin

7-Chlorolincomycin

7-Deoxy-7(S)-chlorolincomycin

AC1L1EGQ

AC1L1GLA

AC1L9JV8

AC1MHD7N

AC1MHE1M

AC1MHUOE

AC1MHX4G

AC1NWAKO

AC1O7ENS

AC1O7GED

AC1OFCIP

AC1OFCIV

AC1OFCJ1

AC1OFCJ7

AC1OIBYJ

AC1OIBYL

AC1OIBYN

AC1Q2V4O

Antirobe

BIDD:GT0418

BPBio1_000236

BRD-A23034328-003-03-4

BSPBio_000214

BSPBio_002049

C06914

C18H33ClN2O5S

CAS-21462-39-5

CHEBI:3745

CHEMBL187

Chlolincocin

Chlorlincocin

Chlorodeoxylincomycin

Chlorolincomycin

CID2786

CID29029

CID3000512

CID3001928

CID3032758

CID3034218

CID446598

CID5702026

CID6602476

CID6604361

CID7048642

CID7048644

CID7048646

CID7048648

CID7276014

CID7276016

CID7276018

CID9812677

CLDM

Cleocin

Cleocin (TN)

Cleocin Hcl

Cleocin Pediatric

Cleocin Phosphate

Cleocin T

Cleocin T Gel

Cleocin T Lotion

Cleocin T Topical Solution

CLINDA & IL-12

Clinda-Derm

ClindaDerm

Clindagel

Clindamicina

Clindamicina [INN-Spanish]

Clindamicina [INN-Spanish];Clindamycin Phosphate;Clindamycine [French];Clindamycine [INN-French];Clindamycinum [INN-Latin]

Clindamycin & Interleukin 12

Clindamycin & VRC3375

Clindamycin (USAN/INN)

Clindamycin Hcl

Clindamycin hydrochloride

Clindamycin hydrochloride monohydrate

Clindamycin Phosphate

Clindamycin [USAN:BAN:INN]

Clindamycine

Clindamycine [French]

Clindamycine [INN-French]

Clindamycinum

Clindamycinum [INN-Latin]

Clindesse

Clindets

Clinimycin

CLY

D00277

Dalacin

Dalacin C

Dalacin C Flavored Granules

Dalacin C Phosphate

Dalacin T Topical Solution

Dalacine

DAP000409

DB01190

DivK1c_000464

EINECS 242-209-1

Evoclin

HMS2089A05

HMS2089N16

HSDB 3037

I06-0826

IDI1_000464

KBio1_000464

KBio2_000638

KBio2_003206

KBio2_005774

KBio3_001269

KBioGR_000844

KBioSS_000638

Klimicin

Klindan 300

LS-187128

LS-98131

MFCD07793327

MLS001183714

MolPort-002-323-206

MolPort-002-964-479

NCGC00016752-01

NCGC00178843-01

NCGC00179636-01

NINDS_000464

Prestwick0_000137

Prestwick1_000137

Prestwick2_000137

Prestwick3_000137

ResiDerm A

SMP2_000295

SMR000677917

Sobelin

SPBio_000670

SPBio_002153

Spectrum2_000885

Spectrum3_000355

Spectrum4_000292

Spectrum5_001525

Spectrum_000158

STK177246

STOCK1N-31150

U 21251

U-21,251

U-21251

UNII-3U02EL437C

Zindaclin

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 1.14 -37.29 5 7 1 103 425.999 7 ↓
Hi High (pH 8-9.5) 2.06 -1.13 -8.16 4 7 0 102 424.991 7 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.462 Bitter DB
ALOGPS_SOLUBILITY 3.10e+00 g/l DrugBank-approved
Therapy antibacterial, inhibits protein synthesis SMDC MicroSource
Indications Antibiotic KeyOrganics Bioactives
Purity BP98 APIChem
UniProt Database Links CFR_STAAU; SAER_STAA8; SAES_STAA8 ChEBI
Patent Database Links EP1112741; EP1452533; EP1568370; EP1570850; EP1614430; EP1634584; EP1639994; EP1642592; EP1652535; EP1671623; EP1685843; EP1813277; EP1813295; EP1834627; EP1839648; EP1872775; EP1884520; EP1925316; EP1982712; EP1985291; GB2208149; US2002107266; US20031050 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 9 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1.3 0.46 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )